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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP003003

(1S,3R,8S,11S,12S,15R,16R)-12,16-dimethyl-15-[(2S,5S)-3,5,6-trihydroxy-5-(hydroxymethyl)-6-methylheptan-2-yl]-7-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one

Formula: C36H60O11  |  Mol. Weight: 668.90 g/mol

IUPAC: (1S,3R,8S,11S,12S,15R,16R)-12,16-dimethyl-15-[(2S,5S)-3,5,6-trihydroxy-5-(hydroxymethyl)-6-methylheptan-2-yl]-7-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one

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Overview

Molecular Formula C36H60O11
Molecular Weight 668.90 g/mol
Canonical SMILES CC(C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(=O)C5COC6C(C(C(C(O6)CO)O)O)O)C)C)C(CC(CO)(C(C)(C)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy