Chem
J-GLOBAL ID：200907073512876088
Nikkaji number：J643.644G
(20R,23R,25S)-26,22-エピニトリロ-16β,23-エポキシ-23-エトキシ-5α-コレスタン-3β,20-ジオール
(20R,23R,25S)-26,22-エピニトリロ-16β,23-エポキシ-23-エトキシ-5α-コレスタン-3β,20-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： C29H47NO4
Molecular formula furigana： C29-H47-N-O4
Molecular weight： 473.698
InChI：
InChI=1S/C29H47NO4/c1-6-33-29-15-17(2)16-30-25(29)28(5,32)24-23(34-29)14-22-20-8-7-18-13-19(31)9-11-26(18,3)21(20)10-12-27(22,24)4/h17-24,31-32H,6-16H2,1-5H3/t17-,18-,19-,20+,21-,22-,23-,24-,26-,27-,28+,29+/m0/s1
InChI key：
KWKULQASKPFQAK-SRSOYOMYSA-N
SMILES：
CCO[C@@]12C[C@H](C)CN=C1[C@](C)(O)[C@H]1[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]13C)O2
Systematic name (3)：
- (20R,23R,25S)-26,22-エピニトリロ-16β,23-エポキシ-23-エトキシ-5α-コレスタン-3β,20-ジオール
- (1S,2R,5S,7S,10S,11S,14S,15R,16R,20S,22R,24S)-22-エトキシ-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-17-エン-7,16-ジオール
- (1S,2R,5S,7S,10S,11S,14S,15R,16R,20S,22R,24S)-22-ethoxy-10,14,16,20-tetramethyl-23-oxa-18-azahexacyclo[12.11.0.02,11.05,10.015,24.017,22]pentacos-17-ene-7,16-diol
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