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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP033157

methyl (3S,3aS,3bS,4R,5aR,6S,8aR,8bR,10aR)-3,4-dihydroxy-6-[(2R)-2-hydroxy-6-methyl-4-oxohept-5-en-2-yl]-1,1,3a,8a,8b-pentamethyl-2-oxo-3b,4,5,5a,6,7,8,9,10,10a-decahydroindeno[6,7-e]indene-3-carboxylate

Formula: C31H48O7  |  Mol. Weight: 532.70 g/mol

IUPAC: methyl (3S,3aS,3bS,4R,5aR,6S,8aR,8bR,10aR)-3,4-dihydroxy-6-[(2R)-2-hydroxy-6-methyl-4-oxohept-5-en-2-yl]-1,1,3a,8a,8b-pentamethyl-2-oxo-3b,4,5,5a,6,7,8,9,10,10a-decahydroindeno[6,7-e]indene-3-carboxylate

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Overview

Molecular Formula C31H48O7
Molecular Weight 532.70 g/mol
Canonical SMILES CC(=CC(=O)CC(C)(C1CCC2(C1CC(C3C2(CCC4C3(C(C(=O)C4(C)C)(C(=O)OC)O)C)C)O)C)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy