Chem
J-GLOBAL ID：200907051293735291
Nikkaji number：J2.032.112A
(2aS,4aβ,7aβ,7bβ)-4β-(4-Hydroxy-trans-cinnamoyloxy)octahydro-2H-1,7-dioxacyclopenta[cd]indene-2aβ-ol
(2aS,4aβ,7aβ,7bβ)-4β-(4-ヒドロキシ-trans-シンナモイルオキシ)オクタヒドロ-2H-1,7-ジオキサシクロペンタ[cd]インデン-2aβ-オール
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： C18H20O6
Molecular formula furigana： C18-H20-O6
Molecular weight： 332.352
InChI：
InChI=1S/C18H20O6/c19-12-4-1-11(2-5-12)3-6-15(20)24-14-9-18(21)10-23-17-16(18)13(14)7-8-22-17/h1-6,13-14,16-17,19,21H,7-10H2/b6-3+/t13-,14+,16+,17+,18+/m0/s1
InChI key：
KPWKPPYUQLHPDZ-MRGVQOGQSA-N
SMILES：
Oc1ccc(/C=C/C(=O)O[C@@H]2C[C@@]3(O)CO[C@H]4OCC[C@@H]2[C@@H]34)cc1
Systematic name (3)：
- (2aS,4aβ,7aβ,7bβ)-4β-(4-ヒドロキシ-trans-シンナモイルオキシ)オクタヒドロ-2H-1,7-ジオキサシクロペンタ[cd]インデン-2aβ-オール
- (1R,4S,6R,7R,11S)-4-ヒドロキシ-2,10-ジオキサトリシクロ[5.3.1.04,11]ウンデカン-6-イル (2E)-3-(4-ヒドロキシフェニル)プロパ-2-エノアート
- (1R,4S,6R,7R,11S)-4-hydroxy-2,10-dioxatricyclo[5.3.1.04,11]undecan-6-yl (2E)-3-(4-hydroxyphenyl)prop-2-enoate
- (2aS,4aβ,7aβ,7bβ)-4β-(4-Hydroxy-trans-cinnamoyloxy)octahydro-2H-1,7-dioxacyclopenta[cd]indene-2aβ-ol
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