Chem
J-GLOBAL ID:200907096713553783
Nikkaji number:J1.082.862G
(4R)-1-Oxo-4β,6,7-triphenyl-1,3,3a,4,5,7a-hexahydroisobenzofuran-5β,7aβ-dicarboxylic acid dimethyl ester
(4R)-1-オキソ-4β,6,7-トリフェニル-1,3,3a,4,5,7a-ヘキサヒドロイソベンゾフラン-5β,7aβ-ジカルボン酸ジメチル
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Substance type:
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
Molecular formula:
C30 H26 O6
Molecular formula furigana:
C30-H26-O6
Molecular weight:
482.532
InChI:
InChI=1S/C30H26O6/c1-34-27(31)25-23(19-12-6-3-7-13-19)22-18-36-29(33)30(22,28(32)35-2)26(21-16-10-5-11-17-21)24(25)20-14-8-4-9-15-20/h3-17,22-23,25H,18H2,1-2H3/t22?,23-,25-,30-/m1/s1
InChI key:
IZDHSNDTXIPWEJ-NVUXQTLQSA-N
SMILES:
COC(=O)[C@@H]1[C@@H](C2COC(=O)[C@@]2(C(=O)OC)C(=C1c1ccccc1)c1ccccc1)c1ccccc1
Systematic name (3):
(4R)-1-オキソ-4β,6,7-トリフェニル-1,3,3a,4,5,7a-ヘキサヒドロイソベンゾフラン-5β,7aβ-ジカルボン酸ジメチル
3a,6-ジメチル (3aR,6R,7R)-3-オキソ-4,5,7-トリフェニル-1,3,3a,6,7,7a-ヘキサヒドロ-2-ベンゾフラン-3a,6-ジカルボキシラート
3a,6-dimethyl (3aR,6R,7R)-3-oxo-4,5,7-triphenyl-1,3,3a,6,7,7a-hexahydro-2-benzofuran-3a,6-dicarboxylate
Other name (1):
(4R)-1-Oxo-4β,6,7-triphenyl-1,3,3a,4,5,7a-hexahydroisobenzofuran-5β,7aβ-dicarboxylic acid dimethyl ester
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