Chem
J-GLOBAL ID：200907009806689340
Nikkaji number：J1.763.598K
17β,21β-Epoxyhopane-3-one
17β,21β-エポキシホパン-3-オン
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： C30H48O2
Molecular formula furigana： C30-H48-O2
Molecular weight： 440.712
InChI：
InChI=1S/C30H48O2/c1-19(2)29-17-15-28(8)22-10-9-21-25(5)13-12-23(31)24(3,4)20(25)11-14-26(21,6)27(22,7)16-18-30(28,29)32-29/h19-22H,9-18H2,1-8H3/t20-,21+,22-,25-,26+,27+,28+,29-,30-/m0/s1
InChI key：
CMWZPPYBIGXKPR-LPSJIVJRSA-N
SMILES：
CC(C)[C@@]12CC[C@]3(C)[C@H]4CC[C@@H]5[C@@]6(C)CCC(=O)C(C)(C)[C@@H]6CC[C@@]5(C)[C@]4(C)CC[C@@]13O2
Systematic name (3)：
- 17β,21β-エポキシホパン-3-オン
- (1R,2R,5S,7S,10R,11S,14R,15R,20R)-1,2,10,15,19,19-ヘキサメチル-7-(プロパン-2-イル)-6-オキサヘキサシクロ[12.8.0.02,11.05,7.05,10.015,20]ドコサン-18-オン
- (1R,2R,5S,7S,10R,11S,14R,15R,20R)-1,2,10,15,19,19-hexamethyl-7-(propan-2-yl)-6-oxahexacyclo[12.8.0.02,11.05,7.05,10.015,20]docosan-18-one
- 17β,21β-Epoxyhopane-3-one
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