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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP001708

19-Norlanost-5-en-24-one, 3-[(6-O-I(2)-D-glucopyranosyl-I(2)-D-glucopyranosyl)oxy]-22,23,25-trihydroxy-9-methyl-, (3I(2),9I(2),10I+/-,22S,23R)-

Formula: C42H70O15  |  Mol. Weight: 815.00 g/mol

IUPAC: (4R,5S,6S)-2,4,5-trihydroxy-2-methyl-6-[(3S,8R,9R,10S,13R,14S,17R)-4,4,9,13,14-pentamethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]heptan-3-one

Overview

Molecular Formula C42H70O15
Molecular Weight 815.00 g/mol
Canonical SMILES CC(C1CCC2(C1(CCC3(C2CC=C4C3CCC(C4(C)C)OC5C(C(C(C(O5)COC6C(C(C(C(O6)CO)O)O)O)O)O)O)C)C)C)C(C(C(=O)C(C)(C)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy