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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP030144

(1S,2S,7R,9R,11S,13S,14R,15S,16S,17S)-16-hydroxy-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: C27H42O11  |  Mol. Weight: 542.60 g/mol

IUPAC: (1S,2S,7R,9R,11S,13S,14R,15S,16S,17S)-16-hydroxy-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

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Overview

Molecular Formula C27H42O11
Molecular Weight 542.60 g/mol
Canonical SMILES CC1C2CC(OC3C2(C(C(C1OC)O)C4(C(C3)CC=C(C4=O)OC)C)C)OC5C(C(C(C(O5)CO)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy