Chem
J-GLOBAL ID:200907049444976160   Nikkaji number:J2.286.373H

(1aβ,1bα,6aβ)-1β-Isopropyl-2-methylene-5aα-methyldecahydrocyclopropa[a]indene-4β,5β-diol dicinnamate

(1aβ,1bα,6aβ)-1β-イソプロピル-2-メチレン-5aα-メチルデカヒドロシクロプロパ[a]インデン-4β,5β-ジオールジシンナマート
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: C33H36O4
Molecular formula furigana: C33-H36-O4
Molecular weight: 496.647
InChI: InChI=1S/C33H36O4/c1-21(2)29-25-20-33(4)31(30(25)29)22(3)19-26(36-27(34)17-15-23-11-7-5-8-12-23)32(33)37-28(35)18-16-24-13-9-6-10-14-24/h5-18,21,25-26,29-32H,3,19-20H2,1-2,4H3/b17-15+,18-16+/t25-,26-,29-,30-,31-,32-,33+/m1/s1
InChI key: FVIIVESOVWMLGK-RWIHIFAKSA-N
SMILES: CC(C)[C@@H]1[C@H]2C[C@@]3(C)[C@@H]([C@@H]12)C(=C)C[C@@H](OC(=O)/C=C/c1ccccc1)[C@H]3OC(=O)/C=C/c1ccccc1
Systematic name  (3):
  • (1aβ,1bα,6aβ)-1β-イソプロピル-2-メチレン-5aα-メチルデカヒドロシクロプロパ[a]インデン-4β,5β-ジオールジシンナマート
  • (1R,1aR,1bS,4R,5S,5aS,6aR)-5a-メチル-2-メチリデン-5-{[(2E)-3-フェニルプロパ-2-エノイル]オキシ}-1-(プロパン-2-イル)-デカヒドロシクロプロパ[a]インデン-4-イル (2E)-3-フェニルプロパ-2-エノアート
  • (1R,1aR,1bS,4R,5S,5aS,6aR)-5a-methyl-2-methylidene-5-{[(2E)-3-phenylprop-2-enoyl]oxy}-1-(propan-2-yl)-decahydrocyclopropa[a]inden-4-yl (2E)-3-phenylprop-2-enoate
Other name (1):
  • (1aβ,1bα,6aβ)-1β-Isopropyl-2-methylene-5aα-methyldecahydrocyclopropa[a]indene-4β,5β-diol dicinnamate
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