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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP006941

[(1S,2S,3R,4S,5R,7S,8R,9R,10R,13R,15R)-2,5-diacetyloxy-4-formyl-13-(furan-3-yl)-9-(2-methoxy-2-oxoethyl)-4,8,10,12-tetramethyl-16-oxatetracyclo[8.6.0.03,8.011,15]hexadec-11-en-7-yl] (E)-2-methylbut-2-enoate

Formula: C36H46O11  |  Mol. Weight: 654.70 g/mol

IUPAC: [(1S,2S,3R,4S,5R,7S,8R,9R,10R,13R,15R)-2,5-diacetyloxy-4-formyl-13-(furan-3-yl)-9-(2-methoxy-2-oxoethyl)-4,8,10,12-tetramethyl-16-oxatetracyclo[8.6.0.03,8.011,15]hexadec-11-en-7-yl] (E)-2-methylbut-2-enoate

Overview

Molecular Formula C36H46O11
Molecular Weight 654.70 g/mol
Canonical SMILES CC=C(C)C(=O)OC1CC(C(C2C1(C(C3(C(C2OC(=O)C)OC4C3=C(C(C4)C5=COC=C5)C)C)CC(=O)OC)C)(C)C=O)OC(=O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy