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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP018896

(2S,4aS,6bR,12aS)-10-[(2R,3R,4S,5S,6S)-6-butoxycarbonyl-3-[(2R,3R,4S,5S,6S)-6-ethoxycarbonyl-3,4,5-trihydroxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid

Formula: C48H74O16  |  Mol. Weight: 907.10 g/mol

IUPAC: (2S,4aS,6bR,12aS)-10-[(2R,3R,4S,5S,6S)-6-butoxycarbonyl-3-[(2R,3R,4S,5S,6S)-6-ethoxycarbonyl-3,4,5-trihydroxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid

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Overview

Molecular Formula C48H74O16
Molecular Weight 907.10 g/mol
Canonical SMILES CCCCOC(=O)C1C(C(C(C(O1)OC2CCC3(C(C2(C)C)CCC4(C3C(=O)C=C5C4(CCC6(C5CC(CC6)(C)C(=O)O)C)C)C)C)OC7C(C(C(C(O7)C(=O)OCC)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy