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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP016693

[(1R,3S,3aR,4S,8S,8aS)-3-acetyloxy-1-hydroxy-3a,6-dimethyl-8-[(Z)-2-methylbut-2-enoyl]oxy-1-propan-2-yl-2,3,4,7,8,8a-hexahydroazulen-4-yl] benzoate

Formula: C29H38O7  |  Mol. Weight: 498.60 g/mol

IUPAC: [(1R,3S,3aR,4S,8S,8aS)-3-acetyloxy-1-hydroxy-3a,6-dimethyl-8-[(Z)-2-methylbut-2-enoyl]oxy-1-propan-2-yl-2,3,4,7,8,8a-hexahydroazulen-4-yl] benzoate

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Overview

Molecular Formula C29H38O7
Molecular Weight 498.60 g/mol
Canonical SMILES CC=C(C)C(=O)OC1CC(=CC(C2(C1C(CC2OC(=O)C)(C(C)C)O)C)OC(=O)C3=CC=CC=C3)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy