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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP009427

[(2R,3R,4S,5S,6R)-2-[[(3S,4aR,6aR,6aR,6bR,8S,8aS,11S,12S,12aS,14aR,14bR)-8,11-dihydroxy-4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicen-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] hydrogen sulfate

Formula: C36H62O11S  |  Mol. Weight: 702.90 g/mol

IUPAC: [(2R,3R,4S,5S,6R)-2-[[(3S,4aR,6aR,6aR,6bR,8S,8aS,11S,12S,12aS,14aR,14bR)-8,11-dihydroxy-4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicen-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] hydrogen sulfate

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Overview

Molecular Formula C36H62O11S
Molecular Weight 702.90 g/mol
Canonical SMILES CC1C2C3CCC4C5(CCC(C(C5CCC4(C3(CC(C2(CCC1(C)O)C)O)C)C)(C)C)OC6C(C(C(C(O6)CO)O)O)OS(=O)(=O)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy