Chem
J-GLOBAL ID：200907040962833219
Nikkaji number：J2.388.191H
(7R)-6,8-Dioxo-7β-[2-methyl-4-(benzyloxy)-6-methoxybenzoyloxy]-7-methyl-7,8-dihydro-6H-2-benzopyran-3-acrylic acid tert-butyl ester
(7R)-6,8-ジオキソ-7β-[2-メチル-4-(ベンジルオキシ)-6-メトキシベンゾイルオキシ]-7-メチル-7,8-ジヒドロ-6H-2-ベンゾピラン-3-アクリル酸tert-ブチル
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： C33H32O9
Molecular formula furigana： C33-H32-O9
Molecular weight： 572.610
InChI：
InChI=1S/C33H32O9/c1-20-14-24(39-18-21-10-8-7-9-11-21)17-26(38-6)29(20)31(37)42-33(5)27(34)16-22-15-23(40-19-25(22)30(33)36)12-13-28(35)41-32(2,3)4/h7-17,19H,18H2,1-6H3/t33-/m1/s1
InChI key：
WURRBTPDCTWUEY-MGBGTMOVSA-N
SMILES：
COc1cc(OCc2ccccc2)cc(C)c1C(=O)O[C@]1(C)C(=O)C=C2C=C(OC=C2C1=O)C=CC(=O)OC(C)(C)C
Systematic name (3)：
- (7R)-6,8-ジオキソ-7β-[2-メチル-4-(ベンジルオキシ)-6-メトキシベンゾイルオキシ]-7-メチル-7,8-ジヒドロ-6H-2-ベンゾピラン-3-アクリル酸tert-ブチル
- (7R)-3-[3-(tert-ブトキシ)-3-オキソプロパ-1-エン-1-イル]-7-メチル-6,8-ジオキソ-7,8-ジヒドロ-6H-イソクロメン-7-イル 4-(ベンジルオキシ)-2-メトキシ-6-メチルベンゾアート
- (7R)-3-[3-(tert-butoxy)-3-oxoprop-1-en-1-yl]-7-methyl-6,8-dioxo-7,8-dihydro-6H-isochromen-7-yl 4-(benzyloxy)-2-methoxy-6-methylbenzoate
- (7R)-6,8-Dioxo-7β-[2-methyl-4-(benzyloxy)-6-methoxybenzoyloxy]-7-methyl-7,8-dihydro-6H-2-benzopyran-3-acrylic acid tert-butyl ester
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