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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP006037

[(1S,3R,6R,7S,8S,9S,10S,11S,14S,16S)-6-acetyl-14-[(2R,4R,5R,6R)-5-[(2S,3R,4R,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-9-hydroxy-7,11-dimethyl-2-oxapentacyclo[8.8.0.01,3.03,7.011,16]octadecan-8-yl] 2-methylbutanoate

Formula: C40H64O13  |  Mol. Weight: 752.90 g/mol

IUPAC: [(1S,3R,6R,7S,8S,9S,10S,11S,14S,16S)-6-acetyl-14-[(2R,4R,5R,6R)-5-[(2S,3R,4R,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-9-hydroxy-7,11-dimethyl-2-oxapentacyclo[8.8.0.01,3.03,7.011,16]octadecan-8-yl] 2-methylbutanoate

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Overview

Molecular Formula C40H64O13
Molecular Weight 752.90 g/mol
Canonical SMILES CCC(C)C(=O)OC1C(C2C3(CCC(CC3CCC24C5(C1(C(CC5)C(=O)C)C)O4)OC6CC(C(C(O6)C)OC7C(C(C(C(O7)C)O)OC)O)OC)C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy