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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP025433

(2S,3R,4S,5R)-2-[[(1R,2R,3R,7R,9S,12R,14R,17R,18R,19R,21R,25R)-2,24-dihydroxy-3,8,8,17,19,24-hexamethyl-22,26,27-trioxaoctacyclo[19.5.1.01,18.03,17.04,14.07,12.012,14.021,25]heptacos-4-en-9-yl]oxy]oxane-3,4,5-triol

Formula: C35H52O10  |  Mol. Weight: 632.80 g/mol

IUPAC: (2S,3R,4S,5R)-2-[[(1R,2R,3R,7R,9S,12R,14R,17R,18R,19R,21R,25R)-2,24-dihydroxy-3,8,8,17,19,24-hexamethyl-22,26,27-trioxaoctacyclo[19.5.1.01,18.03,17.04,14.07,12.012,14.021,25]heptacos-4-en-9-yl]oxy]oxane-3,4,5-triol

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Overview

Molecular Formula C35H52O10
Molecular Weight 632.80 g/mol
Canonical SMILES CC1CC23C(C(CO2)(C)O)OC4(C1C5(CCC67CC68CCC(C(C8CC=C7C5(C4O)C)(C)C)OC9C(C(C(CO9)O)O)O)C)O3

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy