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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP007534

Kauran-18-oic acid, 17-(I(2)-D-glucopyranosyloxy)-6,7,13,16-tetrahydroxy-, (4I+/-,6I(2),7I(2))-

Formula: C26H42O12  |  Mol. Weight: 546.60 g/mol

IUPAC: (1R,2R,3S,4S,5R,9S,10S,13S,14S)-2,3,13,14-tetrahydroxy-5,9-dimethyl-14-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]tetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid

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Overview

Molecular Formula C26H42O12
Molecular Weight 546.60 g/mol
Canonical SMILES CC12CCCC(C1C(C(C34C2CCC(C3)(C(C4)(COC5C(C(C(C(O5)CO)O)O)O)O)O)O)O)(C)C(=O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy