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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP038640

[(1R,2R,3R,4aR,4bS,7S,8R,10aS,10bR,12aR)-3,7-dihydroxy-1-(hydroxymethyl)-1,1',1',4a,10b-pentamethylspiro[2,3,4,4b,5,7,9,10,10a,11,12,12a-dodecahydrochrysene-8,3'-cyclopentane]-2-yl] 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

Formula: C38H54O7  |  Mol. Weight: 622.80 g/mol

IUPAC: [(1R,2R,3R,4aR,4bS,7S,8R,10aS,10bR,12aR)-3,7-dihydroxy-1-(hydroxymethyl)-1,1',1',4a,10b-pentamethylspiro[2,3,4,4b,5,7,9,10,10a,11,12,12a-dodecahydrochrysene-8,3'-cyclopentane]-2-yl] 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

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Overview

Molecular Formula C38H54O7
Molecular Weight 622.80 g/mol
Canonical SMILES CC1(CCC2(C1)CCC3C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)OC(=O)C=CC6=CC(=C(C=C6)O)OC)O)C)C)C2O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy