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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP012241

2-[(2R,4aS,5R,6S,8aS)-2-ethenyl-6-(1-methoxy-2-methyl-1-oxopropan-2-yl)-2,5,8a-trimethyl-3,4,4a,6,7,8-hexahydrochromen-5-yl]acetic acid

Formula: C21H34O5  |  Mol. Weight: 366.50 g/mol

IUPAC: 2-[(2R,4aS,5R,6S,8aS)-2-ethenyl-6-(1-methoxy-2-methyl-1-oxopropan-2-yl)-2,5,8a-trimethyl-3,4,4a,6,7,8-hexahydrochromen-5-yl]acetic acid

Overview

Molecular Formula C21H34O5
Molecular Weight 366.50 g/mol
Canonical SMILES CC1(CCC2C(O1)(CCC(C2(C)CC(=O)O)C(C)(C)C(=O)OC)C)C=C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy