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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP001707

19-Norlanosta-6,23-diene-9-carboxaldehyde, 3-(I(2)-D-allopyranosyloxy)-25-(I(2)-D-glucopyranosyloxy)-5-hydroxy-, cyclic 9,5-(methyl acetal), [C(R),3I(2),5I(2),9I(2),10I+/-,23E]-

Formula: C43H70O14  |  Mol. Weight: 811.00 g/mol

IUPAC: (2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-[[(1R,4S,5S,8R,9R,12S,13S,16S,19R)-19-methoxy-5,9,17,17-tetramethyl-8-[(E,2R)-6-methyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-4-en-2-yl]-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-en-16-yl]oxy]oxane-3,4,5-triol

Overview

Molecular Formula C43H70O14
Molecular Weight 811.00 g/mol
Canonical SMILES CC(CC=CC(C)(C)OC1C(C(C(C(O1)CO)O)O)O)C2CCC3(C2(CCC45C3C=CC6(C4CCC(C6(C)C)OC7C(C(C(C(O7)CO)O)O)O)OC5OC)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy