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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP034594

(E,6R)-6-[(1S,3R,8R,11R,12S,13S,14R,15R,16R)-13,14-dihydroxy-7,7,12,16-tetramethyl-6-oxo-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-2-methylhept-2-enoic acid

Formula: C30H46O5  |  Mol. Weight: 486.70 g/mol

IUPAC: (E,6R)-6-[(1S,3R,8R,11R,12S,13S,14R,15R,16R)-13,14-dihydroxy-7,7,12,16-tetramethyl-6-oxo-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-2-methylhept-2-enoic acid

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Overview

Molecular Formula C30H46O5
Molecular Weight 486.70 g/mol
Canonical SMILES CC(CCC=C(C)C(=O)O)C1C(C(C2(C1(CCC34C2CCC5C3(C4)CCC(=O)C5(C)C)C)C)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy