Chem
J-GLOBAL ID:200907092359692040
Nikkaji number:J15.089D
Allodeoxycholic acid
アロデオキシコール酸
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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 O4
Molecular formula furigana:
C24-H40-O4
Molecular weight:
392.580
InChI:
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-WFTUMUMQSA-N
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
Systematic name (3):
3α,12α-ジヒドロキシ-5α-コラン-24-酸
(4R)-4-[(1R,3aS,3bR,5aS,7R,9aS,9bS,11S,11aR)-7,11-ジヒドロキシ-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,3aS,3bR,5aS,7R,9aS,9bS,11S,11aR)-7,11-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoic acid
Other name (6):
β-ラゴデオキシコール酸
β-Lagodeoxycholic acid
3α,12α-Dihydroxy-5α-cholan-24-oic acid
アロデオキシコール酸
Allodeoxycholic acid
3α,12α-Dihydroxy-5α-cholane-24-oic acid
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CAS registry number:
1912-55-6
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