Chem
J-GLOBAL ID：200907096463843578
Nikkaji number：J2.204.303J
(1S)-3β-Hydroxy-2-[2-[(6β)-7β-[(1R)-1-(benzoyloxy)-2-methyl-2-butenyl]-1β,3,5,7-tetramethylbicyclo[4.2.0]octa-2,4-diene-8α-yl]-1-propenyl]-1,2β,4β-trimethyl-5-oxocyclopentane-1β-carboxylic acid γ-lactone
(1S)-3β-ヒドロキシ-2-[2-[(6β)-7β-[(1R)-1-(ベンゾイルオキシ)-2-メチル-2-ブテニル]-1β,3,5,7-テトラメチルビシクロ[4.2.0]オクタ-2,4-ジエン-8α-イル]-1-プロペニル]-1,2β,4β-トリメチル-5-オキソシクロペンタン-1β-カルボン酸γ-ラクトン
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： C36H44O5
Molecular formula furigana： C36-H44-O5
Molecular weight： 556.743
InChI：
InChI=1S/C36H44O5/c1-11-21(3)29(40-31(38)25-15-13-12-14-16-25)35(9)26-22(4)17-20(2)18-33(26,7)27(35)23(5)19-34(8)30-24(6)28(37)36(34,10)32(39)41-30/h11-19,24,26-27,29-30H,1-10H3/t24-,26-,27+,29+,30-,33+,34+,35+,36-/m0/s1
InChI key：
WIKNIUNEGWLYIT-RHOIWTIMSA-N
SMILES：
CC=C(C)[C@@H](OC(=O)c1ccccc1)[C@@]1(C)[C@H](C(=C[C@]2(C)[C@H]3OC(=O)[C@]2(C)C(=O)[C@@H]3C)C)[C@]2(C)C=C(C)C=C(C)[C@H]12
Systematic name (3)：
- (1S)-3β-ヒドロキシ-2-[2-[(6β)-7β-[(1R)-1-(ベンゾイルオキシ)-2-メチル-2-ブテニル]-1β,3,5,7-テトラメチルビシクロ[4.2.0]オクタ-2,4-ジエン-8α-イル]-1-プロペニル]-1,2β,4β-トリメチル-5-オキソシクロペンタン-1β-カルボン酸γ-ラクトン
- (1R)-2-メチル-1-[(1R,6S,7R,8R)-1,3,5,7-テトラメチル-8-{1-[(1S,4S,6R,7S)-4,6,7-トリメチル-3,5-ジオキソ-2-オキサビシクロ[2.2.1]ヘプタン-7-イル]プロパ-1-エン-2-イル}ビシクロ[4.2.0]オクタ-2,4-ジエン-7-イル]ブタ-2-エン-1-イル ベンゾアート
- (1R)-2-methyl-1-[(1R,6S,7R,8R)-1,3,5,7-tetramethyl-8-{1-[(1S,4S,6R,7S)-4,6,7-trimethyl-3,5-dioxo-2-oxabicyclo[2.2.1]heptan-7-yl]prop-1-en-2-yl}bicyclo[4.2.0]octa-2,4-dien-7-yl]but-2-en-1-yl benzoate
- (1S)-3β-Hydroxy-2-[2-[(6β)-7β-[(1R)-1-(benzoyloxy)-2-methyl-2-butenyl]-1β,3,5,7-tetramethylbicyclo[4.2.0]octa-2,4-diene-8α-yl]-1-propenyl]-1,2β,4β-trimethyl-5-oxocyclopentane-1β-carboxylic acid γ-lactone
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