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| Compound number: |
MolPort-002-507-414
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| 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
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| IUPAC traditional: |
deoxycholic acid
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| 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|
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| InChI key: |
KXGVEGMKQFWNSR-LLQZFEROSA-N
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| Molecular formula: |
C24H40O4
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| Molecular weight: | 392.58 |
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| Compound number: | MolPort-002-507-414 |
| CAS number: | 83-44-3 |
| Name: | ZINC000003914810 |
| MFCD00003673 | |
| MFCD01882159 | |
| 3α,12α-Dihydroxy-5β-cholanic acid | |
| 3,12-dihydroxycholan-24-oic acid | |
| (3?,5?,12?)-3,12-dihydroxy-cholan-24-oic acid | |
| 3alpha,12alpha-Dihydroxy-5beta-cholan-24-oic acid | |
| (3alpha,5beta,12alpha)-3,12-dihydroxycholan-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 | |
| (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[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl]pentanoic acid | |
| (4R)-4-[(1S,2S,5R,7R,10R,11S,14R,15R,16S)-5,16-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]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 | |
| 7-Deoxycholic acid | |
| Cholan-24-oic acid, 3,12-dihydroxy-, (3a,5b,12a)- | |
| Cholanoic AcidDesoxycholic acid | |
| Deoxycholate, Desoxycholic acid, Cholerebic, Cholorebic | |
| Deoxycholic acid | |
| Hyodeoxycholic 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 |
| InChI: | 1S/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 |
| Molecular formula: | C24H40O4 |
| Molecular weight: | 392.58 |
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