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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP005528

[(1R,2R,3R,4S,5S,6R,8R,10R,11R)-2-acetyloxy-5-[2-[(3S)-2-hydroxyoxolan-3-yl]ethyl]-4,5-dimethyl-10-[(E)-2-methylbut-2-enoyl]oxyspiro[9-oxatricyclo[6.2.2.01,6]dodecane-11,2'-oxirane]-3-yl] (E)-2-methylbut-2-enoate

Formula: C32H46O10  |  Mol. Weight: 590.70 g/mol

IUPAC: [(1R,2R,3R,4S,5S,6R,8R,10R,11R)-2-acetyloxy-5-[2-[(3S)-2-hydroxyoxolan-3-yl]ethyl]-4,5-dimethyl-10-[(E)-2-methylbut-2-enoyl]oxyspiro[9-oxatricyclo[6.2.2.01,6]dodecane-11,2'-oxirane]-3-yl] (E)-2-methylbut-2-enoate

Overview

Molecular Formula C32H46O10
Molecular Weight 590.70 g/mol
Canonical SMILES CC=C(C)C(=O)OC1C(C(C2CC3CC4(C2(C1OC(=O)C)C(O3)OC(=O)C(=CC)C)CO4)(C)CCC5CCOC5O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy