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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP015007

3beta,11alpha-Dihydroxy-12-ursen-3-yl palmitate

Formula: C46H80O3  |  Mol. Weight: 681.10 g/mol

IUPAC: [(3S,4aR,6aR,6bS,8aR,11R,12S,12aR,14R,14aR,14bS)-14-hydroxy-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] hexadecanoate

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Overview

Molecular Formula C46H80O3
Molecular Weight 681.10 g/mol
Canonical SMILES CCCCCCCCCCCCCCCC(=O)OC1CCC2(C(C1(C)C)CCC3(C2C(C=C4C3(CCC5(C4C(C(CC5)C)C)C)C)O)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy