Chem
J-GLOBAL ID:200907000654989206
Nikkaji number:J14.100C
Virginolide
ビルギノリド
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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:
C15 H16 O3
Molecular formula furigana:
C15-H16-O3
Molecular weight:
244.290
InChI:
InChI=1S/C15H16O3/c1-7-4-12(16)14-8(2)5-13-11(6-10(7)14)9(3)15(17)18-13/h4,10-11,13H,3,5-6H2,1-2H3/t10-,11+,13+/m0/s1
InChI key:
QRVNJKUZIQULFW-DMDPSCGWSA-N
SMILES:
CC1=CC(=O)C2=C(C)C[C@H]3OC(=O)C(=C)[C@H]3C[C@@H]12
Systematic name (3):
(3aR)-3,3a,4,4aα,9,9aα-ヘキサヒドロ-5,8-ジメチル-3-メチレンアズレノ[6,5-b]フラン-2,7-ジオン
(3aR,4aS,9aR)-5,8-ジメチル-3-メチリデン-2H,3H,3aH,4H,4aH,7H,9H,9aH-アズレノ[6,5-b]フラン-2,7-ジオン
(3aR,4aS,9aR)-5,8-dimethyl-3-methylidene-2H,3H,3aH,4H,4aH,7H,9H,9aH-azuleno[6,5-b]furan-2,7-dione
Other name (3):
ビルギノリド
Virginolide
(3aR)-3,3a,4,4aα,9,9aα-Hexahydro-5,8-dimethyl-3-methyleneazuleno[6,5-b]furan-2,7-dione
CAS registry number:
7430-29-7
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