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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP034622

(1S,2S,6S,7S,9R,11S,13R,14S,16S,17R)-14,16-dihydroxy-4-methoxy-2,6,14,17-tetramethyl-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-ene-3,15-dione

Formula: C27H40O12  |  Mol. Weight: 556.60 g/mol

IUPAC: (1S,2S,6S,7S,9R,11S,13R,14S,16S,17R)-14,16-dihydroxy-4-methoxy-2,6,14,17-tetramethyl-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-ene-3,15-dione

Overview

Molecular Formula C27H40O12
Molecular Weight 556.60 g/mol
Canonical SMILES CC1C=C(C(=O)C2(C1CC3C4(C2C(C(=O)C(C4CC(O3)OC5C(C(C(C(O5)CO)O)O)O)(C)O)O)C)C)OC

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy