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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP004609

(1S,2S,7R,9R,11S,13R,14S,15R,16S,17R)-14,16-dihydroxy-4,15-dimethoxy-2,14,17-trimethyl-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-3-one

Formula: C27H42O12  |  Mol. Weight: 558.60 g/mol

IUPAC: (1S,2S,7R,9R,11S,13R,14S,15R,16S,17R)-14,16-dihydroxy-4,15-dimethoxy-2,14,17-trimethyl-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-3-one

Overview

Molecular Formula C27H42O12
Molecular Weight 558.60 g/mol
Canonical SMILES CC12C(CC=C(C1=O)OC)CC3C4(C2C(C(C(C4CC(O3)OC5C(C(C(C(O5)CO)O)O)O)(C)O)OC)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy