Chem
J-GLOBAL ID：201107035486636862   Nikkaji number：J2.946.317D

2α,3β-Dihydroxy-5α-pregna-17(20)-ene-16-one

2α,3β-ジヒドロキシ-5α-プレグナ-17(20)-エン-16-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： C21H32O3
Molecular formula furigana： C21-H32-O3
Molecular weight： 332.484
InChI： InChI=1S/C21H32O3/c1-4-14-17(22)10-16-13-6-5-12-9-18(23)19(24)11-21(12,3)15(13)7-8-20(14,16)2/h4,12-13,15-16,18-19,23-24H,5-11H2,1-3H3/t12-,13+,15-,16-,18+,19+,20+,21-/m0/s1
InChI key： SNBODTQYFCSFKC-QPDCFOTISA-N
SMILES： CC=C1C(=O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@]12C
Systematic name  (3)：
  • 2α,3β-ジヒドロキシ-5α-プレグナ-17(20)-エン-16-オン
  • (3aS,3bR,5aS,7R,8R,9aS,9bS,11aS)-1-エチリデン-7,8-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-2-オン
  • (3aS,3bR,5aS,7R,8R,9aS,9bS,11aS)-1-ethylidene-7,8-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-2-one
Other name (1)：
  • 2α,3β-Dihydroxy-5α-pregna-17(20)-ene-16-one
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