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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP008695

(2I+/-,3I(2))-2-[(3,4-Dihydroxybenzoyl)oxy]-3-hydroxylup-20(29)-en-28-oic acid

Formula: C37H52O7  |  Mol. Weight: 608.80 g/mol

IUPAC: (1R,3aS,5aR,5bR,7aR,9R,10R,11aR,11bR,13aR,13bR)-10-(3,4-dihydroxybenzoyl)oxy-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid

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Overview

Molecular Formula C37H52O7
Molecular Weight 608.80 g/mol
Canonical SMILES CC(=C)C1CCC2(C1C3CCC4C(C3(CC2)C)(CCC5C4(CC(C(C5(C)C)O)OC(=O)C6=CC(=C(C=C6)O)O)C)C)C(=O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy