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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP013496

Meliastatin 3

Formula: C31H48O6  |  Mol. Weight: 516.70 g/mol

IUPAC: methyl (E,2R)-6-hydroperoxy-2-[(5R,9R,10R,13S,14S,16S,17S)-16-hydroxy-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-6-methylhept-4-enoate

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Overview

Molecular Formula C31H48O6
Molecular Weight 516.70 g/mol
Canonical SMILES CC1(C2CC=C3C(C2(CCC1=O)C)CCC4(C3(CC(C4C(CC=CC(C)(C)OO)C(=O)OC)O)C)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy