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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP011454

[(3S,4aR,6aR,6bS,8aR,12aR,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl] 3-(4-hydroxyphenyl)propanoate

Formula: C39H58O3  |  Mol. Weight: 574.90 g/mol

IUPAC: [(3S,4aR,6aR,6bS,8aR,12aR,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl] 3-(4-hydroxyphenyl)propanoate

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Overview

Molecular Formula C39H58O3
Molecular Weight 574.90 g/mol
Canonical SMILES CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC(=O)CCC6=CC=C(C=C6)O)C)C)C2C1)C)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy