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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP023803

22-Angeloyltheasapogenol A

Formula: C35H56O7  |  Mol. Weight: 588.80 g/mol

IUPAC: [3,5,10-trihydroxy-4a,9-bis(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] (Z)-2-methylbut-2-enoate

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Overview

Molecular Formula C35H56O7
Molecular Weight 588.80 g/mol
Canonical SMILES CC=C(C)C(=O)OC1C(C(CC2C1(C(CC3(C2=CCC4C3(CCC5C4(CCC(C5(C)CO)O)C)C)C)O)CO)(C)C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy