BIMP Logo
SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP031348

[(2R,3S,4S,5R,6S)-6-[[(8S,9R,10R,13R,14S,16R,17R)-17-[(E,2R)-6-acetyloxy-2-hydroxy-6-methyl-3-oxohept-4-en-2-yl]-16-hydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthren-2-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate

Formula: C40H56O14  |  Mol. Weight: 760.90 g/mol

IUPAC: [(2R,3S,4S,5R,6S)-6-[[(8S,9R,10R,13R,14S,16R,17R)-17-[(E,2R)-6-acetyloxy-2-hydroxy-6-methyl-3-oxohept-4-en-2-yl]-16-hydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthren-2-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate

3D View Find Similar

Overview

Molecular Formula C40H56O14
Molecular Weight 760.90 g/mol
Canonical SMILES CC(=O)OCC1C(C(C(C(O1)OC2=CC3C(=CCC4C3(C(=O)CC5(C4(CC(C5C(C)(C(=O)C=CC(C)(C)OC(=O)C)O)O)C)C)C)C(C2=O)(C)C)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy