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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP002874

Grayanotoxane-5,6,10,14,16-pentol, 2,3-epoxy-, 6-acetate, (2beta,3beta,6beta,14R)-(9CI)

Formula: C22H34O7  |  Mol. Weight: 410.50 g/mol

IUPAC: [(1S,3R,4R,6R,8S,9S,10R,11R,14R,15R,17R)-4,10,15,17-tetrahydroxy-5,5,10,15-tetramethyl-7-oxapentacyclo[12.2.1.01,11.04,9.06,8]heptadecan-3-yl] acetate

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Overview

Molecular Formula C22H34O7
Molecular Weight 410.50 g/mol
Canonical SMILES CC(=O)OC1CC23CC(C(C2O)CCC3C(C4C1(C(C5C4O5)(C)C)O)(C)O)(C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy