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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP006513

2-O-methyl 4a-O-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (2S,4aR,6aR,6aS,6bR,8aR,9R,10R,11S,12aS,13R,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-13-methoxy-2,6a,6b,9,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2,4a-dicarboxylate

Formula: C38H60O13  |  Mol. Weight: 724.90 g/mol

IUPAC: 2-O-methyl 4a-O-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (2S,4aR,6aR,6aS,6bR,8aR,9R,10R,11S,12aS,13R,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-13-methoxy-2,6a,6b,9,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2,4a-dicarboxylate

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Overview

Molecular Formula C38H60O13
Molecular Weight 724.90 g/mol
Canonical SMILES CC1(CCC2(CCC3(C(=CC(C4C3(CCC5C4(CC(C(C5(C)CO)O)O)C)C)OC)C2C1)C)C(=O)OC6C(C(C(C(O6)CO)O)O)O)C(=O)OC

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy