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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP017273

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

Formula: C31H40O7  |  Mol. Weight: 524.60 g/mol

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

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Overview

Molecular Formula C31H40O7
Molecular Weight 524.60 g/mol
Canonical SMILES CC=C(C)C(=O)OC1CC(=CC(C2(C1C(CC2OC(=O)C)(C(C)C)O)C)OC(=O)C=CC3=CC=CC=C3)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy