Chem
J-GLOBAL ID：200907048643785156
Nikkaji number：J1.108.687J
4-Methyl-4α-[hydroxy(2H)methyl]-17α-hydroxy-9,15-cyclo-C,18-dinor-14,15-seco-5α-androstane-17-methanol
4-メチル-4α-[ヒドロキシ(2H)メチル]-17α-ヒドロキシ-9,15-シクロ-C,18-ジノル-14,15-セコ-5α-アンドロスタン-17-メタノール
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： C20H33[2H]O3
Molecular formula furigana： C20-H34-O3
Molecular weight： 323.495
InChI：
InChI=1S/C20H34O3/c1-17(12-21)6-3-7-18(2)16(17)5-4-14-10-15-11-19(14,18)8-9-20(15,23)13-22/h14-16,21-23H,3-13H2,1-2H3/t14-,15+,16-,17-,18-,19-,20-/m0/s1/i12D/t12?,14-,15+,16-,17-,18-,19-,20-
InChI key：
VHWTVINEPPOCLA-LTGKUVJRSA-N
SMILES：
C([2H])(O)[C@]1(C)CCC[C@@]2(C)[C@H]1CC[C@H]1C[C@@H]3C[C@]21CC[C@]3(O)CO
Systematic name (3)：
- 4-メチル-4α-[ヒドロキシ(2H)メチル]-17α-ヒドロキシ-9,15-シクロ-C,18-ジノル-14,15-セコ-5α-アンドロスタン-17-メタノール
- (1S,2S,6R,7R,10S,12R,13R)-6-[ヒドロキシ(2H1)メチル]-13-(ヒドロキシメチル)-2,6-ジメチルテトラシクロ[10.3.1.01,10.02,7]ヘキサデカン-13-オール
- (1S,2S,6R,7R,10S,12R,13R)-6-[hydroxy(2H1)methyl]-13-(hydroxymethyl)-2,6-dimethyltetracyclo[10.3.1.01,10.02,7]hexadecan-13-ol
- 4-Methyl-4α-[hydroxy(2H)methyl]-17α-hydroxy-9,15-cyclo-C,18-dinor-14,15-seco-5α-androstane-17-methanol
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