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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP016791

[(1S,3R,3aS,4S,8S,8aR)-1-acetyloxy-8-benzoyloxy-3-hydroxy-6,8a-dimethyl-3-propan-2-yl-1,2,3a,4,5,8-hexahydroazulen-4-yl] 4-hydroxybenzoate

Formula: C31H36O8  |  Mol. Weight: 536.60 g/mol

IUPAC: [(1S,3R,3aS,4S,8S,8aR)-1-acetyloxy-8-benzoyloxy-3-hydroxy-6,8a-dimethyl-3-propan-2-yl-1,2,3a,4,5,8-hexahydroazulen-4-yl] 4-hydroxybenzoate

Overview

Molecular Formula C31H36O8
Molecular Weight 536.60 g/mol
Canonical SMILES CC1=CC(C2(C(CC(C2C(C1)OC(=O)C3=CC=C(C=C3)O)(C(C)C)O)OC(=O)C)C)OC(=O)C4=CC=CC=C4

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy