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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP039131

(1S,2R,3R,5R,8R,9R,10R,11S,15R,16R)-3,9,10,15-tetrahydroxy-12,12-dimethyl-16-(3-methylbutoxy)-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-7-one

Formula: C25H38O7  |  Mol. Weight: 450.60 g/mol

IUPAC: (1S,2R,3R,5R,8R,9R,10R,11S,15R,16R)-3,9,10,15-tetrahydroxy-12,12-dimethyl-16-(3-methylbutoxy)-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-7-one

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Overview

Molecular Formula C25H38O7
Molecular Weight 450.60 g/mol
Canonical SMILES CC(C)CCOC1C23C(CCC(C2C(C(O1)(C45C3C(CC(C4)C(=C)C5=O)O)O)O)(C)C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy