Chem
J-GLOBAL ID：200907034648859084
Nikkaji number：J397.772B
(3S,5R,6S,7E)-5,6-Epoxy-3-hydroxy-7-megastigmen-9-one
(3S,5R,6S,7E)-5,6-エポキシ-3-ヒドロキシ-7-メガスチグメン-9-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： C13H20O3
Molecular formula furigana： C13-H20-O3
Molecular weight： 224.300
InChI：
InChI=1S/C13H20O3/c1-9(14)5-6-13-11(2,3)7-10(15)8-12(13,4)16-13/h5-6,10,15H,7-8H2,1-4H3/b6-5+/t10-,12+,13-/m0/s1
InChI key：
VYKLRWGPNUVKNC-IRIVYCKASA-N
SMILES：
CC(=O)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C
Systematic name (9)：
- (E)-4-[(1S,4S,6R)-4-ヒドロキシ-2,2,6-トリメチル-7-オキサビシクロ[4.1.0]ヘプタン-1-イル]-3-ブテン-2-オン
- (1S)-3β,4β-エポキシ-3,5,5-トリメチル-4-[(E)-3-オキソ-1-ブテニル]シクロヘキサン-1-オール
- (3E)-4-[(1R)-3β-ヒドロキシ-1,5,5-トリメチル-7-オキサビシクロ[4.1.0]ヘプタン-6β-イル]-3-ブテン-2-オン
- (3E)-4-[(1S,4S,6R)-2,2,6-トリメチル-4-ヒドロキシ-7-オキサビシクロ[4.1.0]ヘプタン-1-イル]-3-ブテン-2-オン
- (3E)-4-[(1S)-2,2,6α-トリメチル-4α-ヒドロキシ-7-オキサビシクロ[4.1.0]ヘプタン-1α-イル]-3-ブテン-2-オン
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- (1S)-3β,4β-Epoxy-3,5,5-trimethyl-4-[(E)-3-oxo-1-butenyl]cyclohexan-1-ol
- (3E)-4-[(1R)-3β-Hydroxy-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptane-6β-yl]-3-butene-2-one
- (3S,5R,6S,7E)-5,6-Epoxy-3-hydroxy-7-megastigmen-9-one
- (3S,5R,6S,7E)-5,6-エポキシ-3-ヒドロキシ-7-メガスチグメン-9-オン
- (3E)-4-[(1S,4S,6R)-2,2,6-Trimethyl-4-hydroxy-7-oxabicyclo[4.1.0]heptane-1-yl]-3-butene-2-one
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