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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP032780

[(1S,2S,6S,7S,9R,11S,13R,14R,16R,17S)-4-methoxy-2,6,14,17-tetramethyl-3-oxo-14-[(3S)-5-oxooxolane-3-carbonyl]-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-16-yl] (E)-2-methylbut-2-enoate

Formula: C37H52O14  |  Mol. Weight: 720.80 g/mol

IUPAC: [(1S,2S,6S,7S,9R,11S,13R,14R,16R,17S)-4-methoxy-2,6,14,17-tetramethyl-3-oxo-14-[(3S)-5-oxooxolane-3-carbonyl]-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-16-yl] (E)-2-methylbut-2-enoate

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Overview

Molecular Formula C37H52O14
Molecular Weight 720.80 g/mol
Canonical SMILES CC=C(C)C(=O)OC1CC(C2CC(OC3C2(C1C4(C(C3)C(C=C(C4=O)OC)C)C)C)OC5C(C(C(C(O5)CO)O)O)O)(C)C(=O)C6CC(=O)OC6

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy