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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP038666

[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[[(1S,3R,6S,7S,8S,11S,12S,15R,16R)-7,12,16-trimethyl-15-[(2R)-6-methyl-5-methylideneheptan-2-yl]-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]oxan-2-yl]methyl acetate

Formula: C44H68O10  |  Mol. Weight: 757.00 g/mol

IUPAC: [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[[(1S,3R,6S,7S,8S,11S,12S,15R,16R)-7,12,16-trimethyl-15-[(2R)-6-methyl-5-methylideneheptan-2-yl]-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]oxan-2-yl]methyl acetate

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Overview

Molecular Formula C44H68O10
Molecular Weight 757.00 g/mol
Canonical SMILES CC1C2CCC3C4(CCC(C4(CCC35C2(C5)CCC1OC6C(C(C(C(O6)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C)C(C)CCC(=C)C(C)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy