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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP005022

(1S,2R,3R,5S,6R,14R,15S,18R,21S,22R)-5,18-dihydroxy-1,14,21-trimethyl-25-methylidene-4,20,23-trioxaheptacyclo[20.3.1.12,5.03,18.03,21.06,15.09,14]heptacosa-8,11-diene-13,19,24,27-tetrone

Formula: C28H30O9  |  Mol. Weight: 510.50 g/mol

IUPAC: (1S,2R,3R,5S,6R,14R,15S,18R,21S,22R)-5,18-dihydroxy-1,14,21-trimethyl-25-methylidene-4,20,23-trioxaheptacyclo[20.3.1.12,5.03,18.03,21.06,15.09,14]heptacosa-8,11-diene-13,19,24,27-tetrone

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Overview

Molecular Formula C28H30O9
Molecular Weight 510.50 g/mol
Canonical SMILES CC12CC(C3(C45C1C(=O)C(O4)(C6CC=C7CC=CC(=O)C7(C6CCC5(C(=O)O3)O)C)O)C)OC(=O)C2=C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy