(4R)-4-[(1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-7-hydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoic acid



Compound number:
MolPort-001-794-648
CAS number: 434-13-9
IUPAC:
(4R)-4-[(1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-7-hydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoic acid
IUPAC traditional:
lithocholic 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]3CC[C@]12C
InChI key:
SMEROWZSTRWXGI-HVATVPOCSA-N
Molecular formula:
C24H40O3
Molecular weight: 376.581
Solubility: not available

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Catalog: Screening compound Ships out: 3 business days Purity: 99.69%
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Catalog: Screening compound Ships out: 2 business days Purity: >=98%
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20 mg January 21, 2021 40.00 USD
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Catalog: Screening compound Ships out: 6 business days Purity: n/a
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50 mg January 27, 2021 122.55 USD
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Catalog: Screening compound Ships out: 6 business days Purity: 98%
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2 mg January 27, 2021 45.00 USD
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Catalog: Screening compound Ships out: 15 business days Purity: 98.0%
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500 mg February 9, 2021 59.34 USD
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1 g February 9, 2021 70.95 USD
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5 g February 9, 2021 112.23 USD
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Catalog: Screening compound Ships out: 20 business days Purity: >=95%
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Catalog: Building blocks Ships out: 6 business days Purity: 98%
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Catalog: Building blocks Ships out: 9 business days Purity: >98%
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Catalog: Building blocks Ships out: 11 business days Purity: 97
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Catalog: Building blocks Ships out: 8 business days Purity: 98%
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25 g January 29, 2021 183.00 USD
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Catalog: Building blocks Ships out: 7 business days Purity: 98%
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1 g January 28, 2021 77.00 USD
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25 g January 28, 2021 228.00 USD
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Catalog: Building blocks Ships out: 7 business days Purity: 98+%
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Catalog: Building blocks Ships out: 7 business days Purity: n/a
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1 g January 28, 2021 14.30 USD
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5 g January 28, 2021 27.17 USD
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25 g January 28, 2021 100.10 USD
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More Information

Compound Identifiers
Compound number: MolPort-001-794-648
CAS number: 434-13-9

Names, Synonyms and 3rd Party Identifiers
Name: ZINC000003918156
MFCD00003682
(3?,5?)-3-hydroxy-cholan-24-oic acid
3?-Hydroxy-5?-cholanic acid
3??-Hydroxy-5??-cholanic acid
3α-Hydroxy-5β-cholanic acid
(4S)-4-((1S,2S,11S,5R,7R,10R,14R,15R)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0. 0<2,7>.0<11,15>]heptadec-14-yl)pentanoic acid
Cholan-24-oic acid, 3-hydroxy-, (3a,5b)-
lithocholic acid
Lithocolic acid
LITHOCOLICACID

InChI
InChI: 1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16-,17-,18+,19-,20+,21+,23+,24-/m1/s1
InChI key: SMEROWZSTRWXGI-HVATVPOCSA-N

Calculated Properties
Molecular formula: C24H40O3
Molecular weight: 376.581

Other

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