(4R)-4-[(1R,3aS,3bR,5aR,7R,9aS,9bS,11S,11aR)-7,11-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoic acid
Compound number
MolPort-002-507-414
CAS number
83-44-3
IUPAC
(4R)-4-[(1R,3aS,3bR,5aR,7R,9aS,9bS,11S,11aR)-7,11-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoic acid
IUPAC traditional
deoxycholic acid
SMILES
C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C |r|
InChI key
KXGVEGMKQFWNSR-LLQZFEROSA-N
Molecular formula
Molecular weight
392.58
Solubility
not available
Marketplace Offers
Vitas M Chemical Limited
Direct S&H to USA
220.00 USD
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220.00 USD
Catalog
Screening compound
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15 business days
Purity
>90%
Last updated
yesterday
In warehouse
1.47 g
MedChemExpress Europe
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85.00 USD
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10 business days
Purity
97.21%
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last week
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ChemFaces
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7 business days
Purity
>=98%
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> 3 months ago
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Otava, Ltd. (2 weeks)
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15 business days
Purity
95.00
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> 3 months ago
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1.09 g
Cayman Europe
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15 business days
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>=95%
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> 3 months ago
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BIONET - Key Organics Ltd.
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100.00 USD
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Screening compound
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10 business days
Purity
98%
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yesterday
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100.00 mg
TargetMol Chemicals
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Screening compound
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15 business days
Purity
99.35%
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300.00 mg
INTERBIOSCREEN DOO BAR
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15 business days
Purity
92 - 98%
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Vitas M Chemical Limited
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Building blocks
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15 business days
Purity
>90%
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yesterday
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1.47 g
Chemscene
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Building blocks
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12 business days
Purity
>98%
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Angene (China)
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Building blocks
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10 business days
Purity
98%
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5.00 kg
Labseeker
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11 business days
Purity
98.00
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5.00 kg
Chem Impex International
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100.00 USD
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Building blocks
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7 business days
Purity
n/a
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last month
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AK Scientific, Inc.
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120.00 USD
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Building blocks
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3 business days
Purity
98% (HPLC)
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last month
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560.00 g
Eximed
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1.09 g
Fluorochem Limited
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= 99.5% (Titration)
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A2B Chem LLC
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5 business days
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98%(HPLC)
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AA BLOCKS
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125.00 USD
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Building blocks
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8 business days
Purity
98%(HPLC)
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> 3 months ago
In warehouse
Unverified
Otava, Ltd.
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105.00 USD
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105.00 USD
Catalog
Building blocks
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15 business days
Purity
95.00
Last updated
> 3 months ago
In warehouse
1.09 g
INTERBIOSCREEN DOO BAR
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220.00 USD
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220.00 USD
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Building blocks
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15 business days
Purity
>95%
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this week
In warehouse
Unverified
Angene International Limited
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80.00 USD
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100.00 USD
Catalog
Building blocks
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11 business days
Purity
98%(HPLC)
Last updated
this month
In warehouse
500.00 g
More Information
Compound identifiers
Compound number
MolPort-002-507-414
CAS number
83-44-3
Names, Synonyms and 3rd Party Identifiers
Name
(3?,5?,12?)-3,12-dihydroxy-cholan-24-oic acid
(3alpha,5beta,12alpha)-3,12-dihydroxycholan-24-oic acid
(4R)-4-((1S,2S,11S,16S,5R,7R,10R,14R,15R)-5,16-dihydroxy-2,15-dimethyltetracyc lo[8.7.0.0<2,7>.0<11,15>]heptadec-14-yl)pentanoic acid
(4R)-4-[(1S,2S,5R,7R,10R,11S,14R,15R,16S)-5,16-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanoic acid
(4R)-4-[(1S,2S,5R,7R,10R,11S,14R,15R,16S)-5,16-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl]pentanoic acid
(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
(4S)-4-((1S,2S,11S,16S,5R,7R,10R,14R,15R)-5,16-dihydroxy-2,15-dimethyltetracyc lo[8.7.0.0<2,7>.0<11,15>]heptadec-14-yl)pentanoic acid
(R)-4-((3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
3,12-dihydroxycholan-24-oic acid
3??,12??-Dihydroxy-5??-cholanic acid
3alpha,12alpha-Dihydroxy-5beta-cholan-24-oic acid
4-(3,12-Dihydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-pentanoic acid
4-(3,2-Dihydroxy-0,3-dimethyl-hexadecahydro-cyclopentaaphenanthren-7-yl)-pentanoic acid
7-Deoxycholic acid
Cholan-24-oic acid, 3,12-dihydroxy-, (3a,5b,12a)-
Cholanoic Acid Desoxycholic acid
Cholanoic AcidDesoxycholic acid
Deoxycholate, Desoxycholic acid, Cholerebic, Cholorebic
Deoxycholic acid
Hyodeoxycholic acid
MFCD00003673
InChI
InChI
1/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1
InChI key
KXGVEGMKQFWNSR-LLQZFEROSA-N
Formula
Molecular formula
C24H40O4
Molecular weight
392.58
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