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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP030911

[(1R,3R,3aS,4S,8aR)-3-hydroxy-6,8a-dimethyl-1-[(Z)-2-methylbut-2-enoyl]oxy-3-propan-2-yl-1,2,3a,4,5,8-hexahydroazulen-4-yl] 3,4-dihydroxybenzoate

Formula: C27H36O7  |  Mol. Weight: 472.60 g/mol

IUPAC: [(1R,3R,3aS,4S,8aR)-3-hydroxy-6,8a-dimethyl-1-[(Z)-2-methylbut-2-enoyl]oxy-3-propan-2-yl-1,2,3a,4,5,8-hexahydroazulen-4-yl] 3,4-dihydroxybenzoate

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Overview

Molecular Formula C27H36O7
Molecular Weight 472.60 g/mol
Canonical SMILES CC=C(C)C(=O)OC1CC(C2C1(CC=C(CC2OC(=O)C3=CC(=C(C=C3)O)O)C)C)(C(C)C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy