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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP007040

[(2R,3R,4S,5S,6R)-2-[[(1R,3aS,4S,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-4-hydroxy-3a-(hydroxymethyl)-1-(2-hydroxypropan-2-yl)-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] hydrogen sulfate

Formula: C36H62O12S  |  Mol. Weight: 718.90 g/mol

IUPAC: [(2R,3R,4S,5S,6R)-2-[[(1R,3aS,4S,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-4-hydroxy-3a-(hydroxymethyl)-1-(2-hydroxypropan-2-yl)-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] hydrogen sulfate

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Overview

Molecular Formula C36H62O12S
Molecular Weight 718.90 g/mol
Canonical SMILES CC1(C2CCC3(C(C2(CCC1OC4C(C(C(C(O4)CO)O)O)OS(=O)(=O)O)C)CCC5C3(CC(C6(C5C(CC6)C(C)(C)O)CO)O)C)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy