Chem
J-GLOBAL ID:200907085839862372
Nikkaji number:J1.772.832F
Avicholic acid
アビコール酸
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Substance type:
Substance type
Substance type classified into 3 categories. Decided structure: Substances with a clear structure Undicided Structure: Substances with unknown or undetermined structure Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula:
C24 H40 O5
Molecular formula furigana:
C24-H40-O5
Molecular weight:
408.579
InChI:
InChI=1S/C24H40O5/c1-13(4-5-20(28)29)22-19(27)12-17-21-16(7-9-24(17,22)3)23(2)8-6-15(25)10-14(23)11-18(21)26/h13-19,21-22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16+,17+,18-,19-,21-,22+,23+,24+/m1/s1
InChI key:
PFMAXGIVRQIQPX-JSFQCDATSA-N
SMILES:
C[C@H](CCC(=O)O)[C@H]1[C@H](O)C[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Systematic name (4):
3α,7α,16α-トリヒドロキシ-5β-コラン-24-酸
3α,7α,16α-トリヒドロキシ-5β-コラン酸
(4R)-4-[(1R,2R,3aS,3bR,4R,5aS,7R,9aS,9bS,11aS)-2,4,7-トリヒドロキシ-9a,11a-ジメチル-ヘキサデカヒドロ-1H-シクロペンタ[a]フェナントレン-1-イル]ペンタン酸
(4R)-4-[(1R,2R,3aS,3bR,4R,5aS,7R,9aS,9bS,11aS)-2,4,7-trihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoic acid
Other name (6):
3α,7α,16α-Trihydroxy-5β-cholane-24-oic acid
16α-ヒドロキシケノデオキシコール酸
16α-Hydroxychenodeoxycholic acid
3α,7α,16α-Trihydroxy-5β-cholanic acid
Avicholic acid
アビコール酸
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