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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP036713

[(1S,3R,6S,8R,12S,13R,15R,16R,17R)-15-[(2R,5R)-5,6-dihydroxy-6-methyl-4-oxoheptan-2-yl]-13-hydroxy-7,7,12,16-tetramethyl-14-oxo-6-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-17-pentacyclo[9.7.0.01,3.03,8.012,16]octadec-10-enyl] acetate

Formula: C37H56O12  |  Mol. Weight: 692.80 g/mol

IUPAC: [(1S,3R,6S,8R,12S,13R,15R,16R,17R)-15-[(2R,5R)-5,6-dihydroxy-6-methyl-4-oxoheptan-2-yl]-13-hydroxy-7,7,12,16-tetramethyl-14-oxo-6-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-17-pentacyclo[9.7.0.01,3.03,8.012,16]octadec-10-enyl] acetate

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Overview

Molecular Formula C37H56O12
Molecular Weight 692.80 g/mol
Canonical SMILES CC(CC(=O)C(C(C)(C)O)O)C1C(=O)C(C2(C1(C(CC34C2=CCC5C3(C4)CCC(C5(C)C)OC6C(C(C(CO6)O)O)O)OC(=O)C)C)C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy