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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP002178

[(2S,3R,4S,5R)-2-[[(3R,3aR,4S,5aR,5bR,7aR,9S,11aR,11bR,13R,13aR,13bR)-3-acetyl-4,13-dihydroxy-3,5a,5b,8,8,11a,13b-heptamethyl-2,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-tetradecahydro-1H-cyclopenta[a]chrysen-9-yl]oxy]-3,5-dihydroxyoxan-4-yl] hydrogen sulfate

Formula: C35H58O11S  |  Mol. Weight: 686.90 g/mol

IUPAC: [(2S,3R,4S,5R)-2-[[(3R,3aR,4S,5aR,5bR,7aR,9S,11aR,11bR,13R,13aR,13bR)-3-acetyl-4,13-dihydroxy-3,5a,5b,8,8,11a,13b-heptamethyl-2,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-tetradecahydro-1H-cyclopenta[a]chrysen-9-yl]oxy]-3,5-dihydroxyoxan-4-yl] hydrogen sulfate

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Overview

Molecular Formula C35H58O11S
Molecular Weight 686.90 g/mol
Canonical SMILES CC(=O)C1(CCC2(C1C(CC3(C2C(CC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(CO6)O)OS(=O)(=O)O)O)C)C)O)C)O)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy