Chem
J-GLOBAL ID:200907028994165919
Nikkaji number:J40.089K
5β-Cholestane-3α,7α,12α-triol
3α,7α,12α-トリヒドロキシコプロスタン
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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:
C27 H48 O3
Molecular formula furigana:
C27-H48-O3
Molecular weight:
420.678
InChI:
InChI=1S/C27H48O3/c1-16(2)7-6-8-17(3)20-9-10-21-25-22(15-24(30)27(20,21)5)26(4)12-11-19(28)13-18(26)14-23(25)29/h16-25,28-30H,6-15H2,1-5H3/t17-,18+,19-,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChI key:
RIVQQZVHIVNQFH-XJZYBRFWSA-N
SMILES:
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
Systematic name (3):
5β-コレスタン-3α,7α,12α-トリオール
(1R,3aS,3bR,4R,5aS,7R,9aS,9bS,11S,11aR)-9a,11a-ジメチル-1-[(2R)-6-メチルヘプタン-2-イル]-ヘキサデカヒドロ-1H-シクロペンタ[a]フェナントレン-4,7,11-トリオール
(1R,3aS,3bR,4R,5aS,7R,9aS,9bS,11S,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-hexadecahydro-1H-cyclopenta[a]phenanthrene-4,7,11-triol
Other name (3):
3α,7α,12α-トリヒドロキシコプロスタン
3α,7α,12α-Trihydroxycoprostane
5β-Cholestane-3α,7α,12α-triol
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