Chem
J-GLOBAL ID：200907070955476580
Nikkaji number：J2.258.661K
(25R)-26-(1H-Imidazole-1-yl)furosta-5,20(22)-diene-3β-ol
(25R)-26-(1H-イミダゾール-1-イル)フロスタ-5,20(22)-ジエン-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： C30H44N2O2
Molecular formula furigana： C30-H44-N2-O2
Molecular weight： 464.694
InChI：
InChI=1S/C30H44N2O2/c1-19(17-32-14-13-31-18-32)5-8-26-20(2)28-27(34-26)16-25-23-7-6-21-15-22(33)9-11-29(21,3)24(23)10-12-30(25,28)4/h6,13-14,18-19,22-25,27-28,33H,5,7-12,15-17H2,1-4H3/t19-,22+,23-,24+,25+,27+,28+,29+,30+/m1/s1
InChI key：
RYJQUGWHOVQVLA-YBAAMREPSA-N
SMILES：
C[C@H](CCC1=C(C)[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O1)Cn1ccnc1
Systematic name (3)：
- (25R)-26-(1H-イミダゾール-1-イル)フロスタ-5,20(22)-ジエン-3β-オール
- (1S,2S,4S,8S,9S,12S,13R,16S)-6-[(3R)-4-(1H-イミダゾール-1-イル)-3-メチルブチル]-7,9,13-トリメチル-5-オキサペンタシクロ[10.8.0.02,9.04,8.013,18]イコサ-6,18-ジエン-16-オール
- (1S,2S,4S,8S,9S,12S,13R,16S)-6-[(3R)-4-(1H-imidazol-1-yl)-3-methylbutyl]-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-6,18-dien-16-ol
- (25R)-26-(1H-Imidazole-1-yl)furosta-5,20(22)-diene-3β-ol
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