Chem
J-GLOBAL ID：200907043619494270
Nikkaji number：J622.386I
21-[[(2S,4S)-Tetrahydro-4-hydroxy-6-oxo-2H-pyran]-2-yl]-5β-pregnane-3α,12α-diol 12-[(S)-2-methylbutyrate]
21-[[(2S,4S)-テトラヒドロ-4-ヒドロキシ-6-オキソ-2H-ピラン]-2-イル]-5β-プレグナン-3α,12α-ジオール12-[(S)-2-メチルブチラート]
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： C31H50O6
Molecular formula furigana： C31-H50-O6
Molecular weight： 518.735
InChI：
InChI=1S/C31H50O6/c1-5-18(2)29(35)37-27-17-26-24(10-7-20-14-21(32)12-13-30(20,26)3)25-11-8-19(31(25,27)4)6-9-23-15-22(33)16-28(34)36-23/h18-27,32-33H,5-17H2,1-4H3/t18-,19-,20+,21+,22-,23-,24-,25-,26-,27-,30-,31+/m0/s1
InChI key：
CFMOEGAYJQXZMT-WLMPQGEISA-N
SMILES：
CC[C@H](C)C(=O)O[C@H]1C[C@H]2[C@@H](CC[C@@H]3C[C@H](O)CC[C@]23C)[C@@H]2CC[C@H](CC[C@H]3C[C@H](O)CC(=O)O3)[C@@]12C
Systematic name (3)：
- 21-[[(2S,4S)-テトラヒドロ-4-ヒドロキシ-6-オキソ-2H-ピラン]-2-イル]-5β-プレグナン-3α,12α-ジオール12-[(S)-2-メチルブチラート]
- (1R,3aS,3bR,5aR,7R,9aS,9bS,11S,11aR)-7-ヒドロキシ-1-{2-[(2S,4S)-4-ヒドロキシ-6-オキソオキサン-2-イル]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-11-イル (2S)-2-メチルブタノアート
- (1R,3aS,3bR,5aR,7R,9aS,9bS,11S,11aR)-7-hydroxy-1-{2-[(2S,4S)-4-hydroxy-6-oxooxan-2-yl]ethyl}-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-11-yl (2S)-2-methylbutanoate
- 21-[[(2S,4S)-Tetrahydro-4-hydroxy-6-oxo-2H-pyran]-2-yl]-5β-pregnane-3α,12α-diol 12-[(S)-2-methylbutyrate]
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