Chem
J-GLOBAL ID：200907089479566136
Nikkaji number：J643.645E
(20R,22S,23R,25S)-22,26-エピミノ-16β,23-エポキシ-5β-コレスタン-3β,23-ジオール
(20R,22S,23R,25S)-22,26-エピミノ-16β,23-エポキシ-5β-コレスタン-3β,23-ジオール
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： C27H45NO3
Molecular formula furigana： C27-H45-N-O3
Molecular weight： 431.661
InChI：
InChI=1S/C27H45NO3/c1-15-13-27(30)24(28-14-15)16(2)23-22(31-27)12-21-19-6-5-17-11-18(29)7-9-25(17,3)20(19)8-10-26(21,23)4/h15-24,28-30H,5-14H2,1-4H3/t15-,16+,17+,18-,19+,20-,21-,22-,23-,24-,25-,26-,27+/m0/s1
InChI key：
ZHFCFFSSVSIEIR-AUPSNOLPSA-N
SMILES：
C[C@@H]1CN[C@H]2[C@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC[C@@H]6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]34C)O[C@]2(O)C1
Systematic name (3)：
- (20R,22S,23R,25S)-22,26-エピミノ-16β,23-エポキシ-5β-コレスタン-3β,23-ジオール
- (1S,2R,5R,7S,10S,11S,14S,15R,16R,17S,20S,22R,24S)-10,14,16,20-テトラメチル-23-オキサ-18-アザヘキサシクロ[12.11.0.02,11.05,10.015,24.017,22]ペンタコサン-7,22-ジオール
- (1S,2R,5R,7S,10S,11S,14S,15R,16R,17S,20S,22R,24S)-10,14,16,20-tetramethyl-23-oxa-18-azahexacyclo[12.11.0.02,11.05,10.015,24.017,22]pentacosane-7,22-diol
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