Chem
J-GLOBAL ID:200907057744187259
Nikkaji number:J4.884D Pregnanediol プレグナンジオール
Download MOL file 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: C21 H36 O2 Molecular formula furigana:
C21-H36-O2
Molecular weight:
320.517
InChI:
InChI=1S/C21H36O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h13-19,22-23H,4-12H2,1-3H3/t13-,14+,15+,16-,17+,18-,19-,20-,21+/m0/s1
InChI key:
YWYQTGBBEZQBGO-BERLURQNSA-N
SMILES:
C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Systematic name (5): 5β-プレグナン-3α,20β-ジオール (20S)-3α,20-ジヒドロキシ-5β-プレグナン (20S)-5β-プレグナン-3α,20-ジオール (1S,3aS,3bR,5aR,7R,9aS,9bS,11aS)-1-[(1S)-1-ヒドロキシエチル]-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-7-オール (1S,3aS,3bR,5aR,7R,9aS,9bS,11aS)-1-[(1S)-1-hydroxyethyl]-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-ol Other name (9): (20S)-5β-Pregnan-3α,20-diol ジオール Diol (20S)-3α,20-Dihydroxy-5β-pregnane (20S)-5β-Pregnane-3α,20-diol
プレグナンジオール Pregnanediol 5β-Pregnane-3α,20β-diol NSC-47462 Show all
CAS registry number:
80-92-2
Regulation number (3):
TU4157100
(9)-2155
EINECS2013137
Application (2):
steroid hormone
, dermatologic preparation
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