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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP002295

methyl 3-[(2R,4aS,5S,6R,7S,8aS)-2-ethenyl-7-hydroxy-6-(2-hydroxypropan-2-yl)-2,5,8a-trimethyl-3,4,4a,6,7,8-hexahydrochromen-5-yl]propanoate

Formula: C21H36O5  |  Mol. Weight: 368.50 g/mol

IUPAC: methyl 3-[(2R,4aS,5S,6R,7S,8aS)-2-ethenyl-7-hydroxy-6-(2-hydroxypropan-2-yl)-2,5,8a-trimethyl-3,4,4a,6,7,8-hexahydrochromen-5-yl]propanoate

Overview

Molecular Formula C21H36O5
Molecular Weight 368.50 g/mol
Canonical SMILES CC1(CCC2C(O1)(CC(C(C2(C)CCC(=O)OC)C(C)(C)O)O)C)C=C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy