Chem
J-GLOBAL ID：201407079647051680
Nikkaji number：J3.307.535I
(5Z,7E,20S,22E)-9,10-Secoergosta-5,7,10(19),22-tetraene-1α,3β-diol
(5Z,7E,20S,22E)-9,10-セコエルゴスタ-5,7,10(19),22-テトラエン-1α,3β-ジオール
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
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
Molecular formula： C28H44O2
Molecular formula furigana： C28-H44-O2
Molecular weight： 412.658
InChI：
InChI=1S/C28H44O2/c1-18(2)19(3)9-10-20(4)25-13-14-26-22(8-7-15-28(25,26)6)11-12-23-16-24(29)17-27(30)21(23)5/h9-12,18-20,24-27,29-30H,5,7-8,13-17H2,1-4,6H3/b10-9+,22-11+,23-12-/t19-,20-,24+,25+,26-,27-,28+/m0/s1
InChI key：
HKXBNHCUPKIYDM-DEGCBXRASA-N
SMILES：
CC(C)[C@@H](C)/C=C/[C@H](C)[C@H]1CC[C@H]2/C(=C/C=C\3/C[C@@H](O)C[C@H](O)C3=C)/CCC[C@]12C
Systematic name (3)：
- (5Z,7E,20S,22E)-9,10-セコエルゴスタ-5,7,10(19),22-テトラエン-1α,3β-ジオール
- (1R,3S,5Z)-5-{2-[(1R,3aS,4E,7aR)-1-[(2S,3E,5R)-5,6-ジメチルヘプタ-3-エン-2-イル]-7a-メチル-オクタヒドロ-1H-インデン-4-イリデン]エチリデン}-4-メチリデンシクロヘキサン-1,3-ジオール
- (1R,3S,5Z)-5-{2-[(1R,3aS,4E,7aR)-1-[(2S,3E,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1,3-diol
- (5Z,7E,20S,22E)-9,10-Secoergosta-5,7,10(19),22-tetraene-1α,3β-diol
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