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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP000075

dimethyl (3S,4S,4aR,6aR,6bS,8aS,11R,12R,12aS,14aR,14bR)-12-hydroxy-4,6a,6b,11,12,14b-hexamethyl-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylate

Formula: C37H58O10  |  Mol. Weight: 662.80 g/mol

IUPAC: dimethyl (3S,4S,4aR,6aR,6bS,8aS,11R,12R,12aS,14aR,14bR)-12-hydroxy-4,6a,6b,11,12,14b-hexamethyl-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylate

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Overview

Molecular Formula C37H58O10
Molecular Weight 662.80 g/mol
Canonical SMILES CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C(=O)OC)OC6C(C(C(CO6)O)O)O)C)C)C2C1(C)O)C)C(=O)OC

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy