Chem
J-GLOBAL ID：200907048067028301   Nikkaji number：J592.793E

2α,3β,6β-Trihydroxy-5α-pregnan-20-one

2α,3β,6β-トリヒドロキシ-5α-プレグナン-20-オン
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： C21H34O4
Molecular formula furigana： C21-H34-O4
Molecular weight： 350.499
InChI： InChI=1S/C21H34O4/c1-11(22)13-4-5-14-12-8-17(23)16-9-18(24)19(25)10-21(16,3)15(12)6-7-20(13,14)2/h12-19,23-25H,4-10H2,1-3H3/t12-,13+,14-,15-,16+,17+,18+,19+,20+,21+/m0/s1
InChI key： GEVABXAEMLTPBL-LVCLFQAISA-N
SMILES： CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@H]4C[C@@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@]12C
Systematic name  (3)：
  • 2α,3β,6β-トリヒドロキシ-5α-プレグナン-20-オン
  • 1-[(1S,3aS,3bR,5R,5aS,7R,8R,9aR,9bS,11aS)-5,7,8-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]エタン-1-オン
  • 1-[(1S,3aS,3bR,5R,5aS,7R,8R,9aR,9bS,11aS)-5,7,8-trihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]ethan-1-one
Other name (1)：
  • 2α,3β,6β-Trihydroxy-5α-pregnan-20-one
Thsaurus map：
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