Chem
J-GLOBAL ID：200907049622360011
Nikkaji number：J1.919.262H
(1β,7α,8β,12R)-5,11-Dioxo-6,12-dihydroxy-6β,12-epoxytricyclo[6.2.2.02,7]dodeca-3,9-diene-2α,9-diacrylic acid
(1β,7α,8β,12R)-5,11-ジオキソ-6,12-ジヒドロキシ-6β,12-エポキシトリシクロ[6.2.2.02,7]ドデカ-3,9-ジエン-2α,9-ジアクリル酸
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： C18H14O9
Molecular formula furigana： C18-H14-O9
Molecular weight： 374.301
InChI：
InChI=1S/C18H14O9/c19-10-3-5-16(6-4-12(22)23)9-7-8(1-2-11(20)21)13-14(16)17(10,25)27-18(13,26)15(9)24/h1-7,9,13-14,25-26H,(H,20,21)(H,22,23)/t9-,13-,14-,16-,17+,18+/m0/s1
InChI key：
BMGTWWSCJIBCTC-IAJCQICOSA-N
SMILES：
OC(=O)C=CC1=C[C@H]2C(=O)[C@]3(O)O[C@@]4(O)[C@@H]([C@H]13)[C@]2(C=CC(=O)O)C=CC4=O
Systematic name (3)：
- (1β,7α,8β,12R)-5,11-ジオキソ-6,12-ジヒドロキシ-6β,12-エポキシトリシクロ[6.2.2.02,7]ドデカ-3,9-ジエン-2α,9-ジアクリル酸
- 3-[(1R,2S,3S,7S,9R,11R)-3-(2-カルボキシエタ-1-エン-1-イル)-7,9-ジヒドロキシ-6,10-ジオキソ-8-オキサテトラシクロ[7.4.0.02,7.03,11]トリデカ-4,12-ジエン-13-イル]プロパ-2-エン酸
- 3-[(1R,2S,3S,7S,9R,11R)-3-(2-carboxyeth-1-en-1-yl)-7,9-dihydroxy-6,10-dioxo-8-oxatetracyclo[7.4.0.02,7.03,11]trideca-4,12-dien-13-yl]prop-2-enoic acid
- (1β,7α,8β,12R)-5,11-Dioxo-6,12-dihydroxy-6β,12-epoxytricyclo[6.2.2.02,7]dodeca-3,9-diene-2α,9-diacrylic acid
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