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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP001659

(1S,3S,4S,6S,7S,8R,11S,12S,14S,15R,16R)-4,6,14-trihydroxy-15-[(2R)-5-hydroxy-5-(hydroxymethyl)-6-methylheptan-2-yl]-7,12,16-trimethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane-7-carboxylic acid

Formula: C31H52O7  |  Mol. Weight: 536.70 g/mol

IUPAC: (1S,3S,4S,6S,7S,8R,11S,12S,14S,15R,16R)-4,6,14-trihydroxy-15-[(2R)-5-hydroxy-5-(hydroxymethyl)-6-methylheptan-2-yl]-7,12,16-trimethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane-7-carboxylic acid

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Overview

Molecular Formula C31H52O7
Molecular Weight 536.70 g/mol
Canonical SMILES CC(C)C(CCC(C)C1C(CC2(C1(CCC34C2CCC5C3(C4)C(CC(C5(C)C(=O)O)O)O)C)C)O)(CO)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy