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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP009927

[(2R,3S,4S,5R,6R)-6-[(5,5-dimethyl-6-methylidene-3-oxocyclohexen-1-yl)methoxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate

Formula: C27H34O11  |  Mol. Weight: 534.60 g/mol

IUPAC: [(2R,3S,4S,5R,6R)-6-[(5,5-dimethyl-6-methylidene-3-oxocyclohexen-1-yl)methoxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate

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Overview

Molecular Formula C27H34O11
Molecular Weight 534.60 g/mol
Canonical SMILES CC1(CC(=O)C=C(C1=C)COC2C(C(C(C(O2)COC(=O)C=CC3=CC(=C(C(=C3)OC)O)OC)O)O)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy