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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP007758

(3S,5S,6R,7R,8S,9R,10S,13R,14S,15R,17R)-17-[(2R)-5-[[(2R,3R,4R,5R)-3,4-dihydroxy-5-[(1R)-2-hydroxy-1-methoxyethyl]oxolan-2-yl]oxymethyl]-5-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,6,7,8,15-pentol

Formula: C35H62O12  |  Mol. Weight: 674.90 g/mol

IUPAC: (3S,5S,6R,7R,8S,9R,10S,13R,14S,15R,17R)-17-[(2R)-5-[[(2R,3R,4R,5R)-3,4-dihydroxy-5-[(1R)-2-hydroxy-1-methoxyethyl]oxolan-2-yl]oxymethyl]-5-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,6,7,8,15-pentol

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Overview

Molecular Formula C35H62O12
Molecular Weight 674.90 g/mol
Canonical SMILES CC(C)C(CCC(C)C1CC(C2C1(CCC3C2(C(C(C4C3(CCC(C4)O)C)O)O)O)C)O)(COC5C(C(C(O5)C(CO)OC)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy