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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP032922

2-[(1S,2R,3S,4R,7S,9S,11S,12S,14S,17R,18R,19R,21R,22S)-2,11-dihydroxy-3,8,8,17,19-pentamethyl-9-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-23,24-dioxaheptacyclo[19.2.1.01,18.03,17.04,14.07,12.012,14]tetracosan-22-yl]propan-2-yl acetate

Formula: C37H58O11  |  Mol. Weight: 678.80 g/mol

IUPAC: 2-[(1S,2R,3S,4R,7S,9S,11S,12S,14S,17R,18R,19R,21R,22S)-2,11-dihydroxy-3,8,8,17,19-pentamethyl-9-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-23,24-dioxaheptacyclo[19.2.1.01,18.03,17.04,14.07,12.012,14]tetracosan-22-yl]propan-2-yl acetate

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Overview

Molecular Formula C37H58O11
Molecular Weight 678.80 g/mol
Canonical SMILES CC1CC2C(OC3(C1C4(CCC56CC57C(CCC6C4(C3O)C)C(C(CC7O)OC8C(C(C(CO8)O)O)O)(C)C)C)O2)C(C)(C)OC(=O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy