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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP011450

methyl (1R,3aS,4S,5R,8S,9aR)-8-[(1R,3aS,4R,7aR)-7a-methoxycarbonyl-1,3a,4-trimethyl-7-oxo-1,2,3,4-tetrahydroinden-5-yl]-5-hydroxy-1,3a,4-trimethyl-9-oxo-1,2,3,4,5,6,7,8-octahydrocyclopenta[b]naphthalene-9a-carboxylate

Formula: C32H44O7  |  Mol. Weight: 540.70 g/mol

IUPAC: methyl (1R,3aS,4S,5R,8S,9aR)-8-[(1R,3aS,4R,7aR)-7a-methoxycarbonyl-1,3a,4-trimethyl-7-oxo-1,2,3,4-tetrahydroinden-5-yl]-5-hydroxy-1,3a,4-trimethyl-9-oxo-1,2,3,4,5,6,7,8-octahydrocyclopenta[b]naphthalene-9a-carboxylate

Overview

Molecular Formula C32H44O7
Molecular Weight 540.70 g/mol
Canonical SMILES CC1CCC2(C1(C(=O)C=C(C2C)C3CCC(C4=C3C(=O)C5(C(CCC5(C4C)C)C)C(=O)OC)O)C(=O)OC)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy