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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP023804

(3b,16a,21b,22a)-12-Oleanene-3,16,21,23,28-pentol-22-angeloyloxy-23-al

Formula: C35H54O7  |  Mol. Weight: 586.80 g/mol

IUPAC: [9-formyl-3,5,10-trihydroxy-4a-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-4-yl] (E)-2-methylbut-2-enoate

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Overview

Molecular Formula C35H54O7
Molecular Weight 586.80 g/mol
Canonical SMILES CC=C(C)C(=O)OC1C(C(CC2C1(C(CC3(C2=CCC4C3(CCC5C4(CCC(C5(C)C=O)O)C)C)C)O)CO)(C)C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy