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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP002398

(2R,3R,4R,4aR,6aR,6bS,8aS,11S,12S,12aS,14aR,14bR)-2,3,12-trihydroxy-11-(hydroxymethyl)-4,6a,6b,12,14b-pentamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid

Formula: C36H56O13  |  Mol. Weight: 696.80 g/mol

IUPAC: (2R,3R,4R,4aR,6aR,6bS,8aS,11S,12S,12aS,14aR,14bR)-2,3,12-trihydroxy-11-(hydroxymethyl)-4,6a,6b,12,14b-pentamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid

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Overview

Molecular Formula C36H56O13
Molecular Weight 696.80 g/mol
Canonical SMILES CC12CCC3C(C1CC=C4C2(CCC5(C4C(C(CC5)CO)(C)O)C(=O)OC6C(C(C(C(O6)CO)O)O)O)C)(CC(C(C3(C)C(=O)O)O)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy