Chem
J-GLOBAL ID：200907083388539634
Nikkaji number：J2.638.548B
(2S)-7-Hydroxy-2α-(4-methyl-1,3-pentadienyl)-3β,4aα,8-triprenyl-6-benzoyl-2-methyl-2,3,4,4a-tetrahydro-5H-1-benzopyran-5-one
(2S)-7-ヒドロキシ-2α-(4-メチル-1,3-ペンタジエニル)-3β,4aα,8-トリプレニル-6-ベンゾイル-2-メチル-2,3,4,4a-テトラヒドロ-5H-1-ベンゾピラン-5-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： C38H48O4
Molecular formula furigana： C38-H48-O4
Molecular weight： 568.798
InChI：
InChI=1S/C38H48O4/c1-25(2)14-13-22-37(9)30(19-17-26(3)4)24-38(23-21-28(7)8)35(41)32(33(39)29-15-11-10-12-16-29)34(40)31(36(38)42-37)20-18-27(5)6/h10-18,21-22,30,40H,19-20,23-24H2,1-9H3/t30-,37+,38-/m0/s1
InChI key：
SNRILYOBZSHBTR-JXQLWKTISA-N
SMILES：
CC(=CC[C@H]1C[C@@]2(CC=C(C)C)C(=O)C(=C(O)C(=C2O[C@]1(C)C=CC=C(C)C)CC=C(C)C)C(=O)c1ccccc1)C
Systematic name (3)：
- (2S)-7-ヒドロキシ-2α-(4-メチル-1,3-ペンタジエニル)-3β,4aα,8-トリプレニル-6-ベンゾイル-2-メチル-2,3,4,4a-テトラヒドロ-5H-1-ベンゾピラン-5-オン
- (2S,3S,4aR)-6-ベンゾイル-7-ヒドロキシ-2-メチル-3,4a,8-トリス(3-メチルブタ-2-エン-1-イル)-2-(4-メチルペンタ-1,3-ジエン-1-イル)-3,4,4a,5-テトラヒドロ-2H-1-ベンゾピラン-5-オン
- (2S,3S,4aR)-6-benzoyl-7-hydroxy-2-methyl-3,4a,8-tris(3-methylbut-2-en-1-yl)-2-(4-methylpenta-1,3-dien-1-yl)-3,4,4a,5-tetrahydro-2H-1-benzopyran-5-one
- (2S)-7-Hydroxy-2α-(4-methyl-1,3-pentadienyl)-3β,4aα,8-triprenyl-6-benzoyl-2-methyl-2,3,4,4a-tetrahydro-5H-1-benzopyran-5-one
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