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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP013097

(1S,3S,4S,6S,7S,8R,11S,12S,15R,16R)-4-acetyloxy-6-hydroxy-7,12,16-trimethyl-15-[(2R)-6-methyl-5-methylideneheptan-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecane-7-carboxylic acid

Formula: C33H52O5  |  Mol. Weight: 528.80 g/mol

IUPAC: (1S,3S,4S,6S,7S,8R,11S,12S,15R,16R)-4-acetyloxy-6-hydroxy-7,12,16-trimethyl-15-[(2R)-6-methyl-5-methylideneheptan-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecane-7-carboxylic acid

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Overview

Molecular Formula C33H52O5
Molecular Weight 528.80 g/mol
Canonical SMILES CC(C)C(=C)CCC(C)C1CCC2(C1(CCC34C2CCC5C3(C4)C(CC(C5(C)C(=O)O)O)OC(=O)C)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy