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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP029515

[(1S,2S,5R,8S,9S,10S,11R,12R,13S,15R)-9,10,13,15-tetrahydroxy-12-methyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-12-yl]methyl acetate

Formula: C22H30O8  |  Mol. Weight: 422.50 g/mol

IUPAC: [(1S,2S,5R,8S,9S,10S,11R,12R,13S,15R)-9,10,13,15-tetrahydroxy-12-methyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-12-yl]methyl acetate

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Overview

Molecular Formula C22H30O8
Molecular Weight 422.50 g/mol
Canonical SMILES CC(=O)OCC1(C(CC(C23C1C(C(C45C2CCC(C4)C(=C)C5=O)(OC3)O)O)O)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy