Chem
J-GLOBAL ID：200907058590890284
Nikkaji number：J643.643I
(22R,23S,25S)-23-アセトキシ-5α-スピロスタン-3β-オール
(22R,23S,25S)-23-アセトキシ-5α-スピロスタン-3β-オール
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： C29H46O5
Molecular formula furigana： C29-H46-O5
Molecular weight： 474.682
InChI：
InChI=1S/C29H46O5/c1-16-12-25(33-18(3)30)29(32-15-16)17(2)26-24(34-29)14-23-21-7-6-19-13-20(31)8-10-27(19,4)22(21)9-11-28(23,26)5/h16-17,19-26,31H,6-15H2,1-5H3/t16-,17-,19-,20-,21+,22-,23-,24-,25-,26-,27-,28-,29+/m0/s1
InChI key：
RDLVKVMMOYCHTG-DSYBNPTESA-N
SMILES：
C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@]21OC[C@@H](C)C[C@@H]2OC(=O)C
Systematic name (3)：
- (22R,23S,25S)-23-アセトキシ-5α-スピロスタン-3β-オール
- (1'R,2R,2'S,3S,4'S,5S,7'S,8'R,9'S,12'S,13'S,16'S,18'S)-16'-ヒドロキシ-5,7',9',13'-テトラメチル-5'-オキサスピロ[オキサン-2,6'-ペンタシクロ[10.8.0.02,9.04,8.013,18]イコサン]-3-イル アセタート
- (1'R,2R,2'S,3S,4'S,5S,7'S,8'R,9'S,12'S,13'S,16'S,18'S)-16'-hydroxy-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.02,9.04,8.013,18]icosan]-3-yl acetate
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