Products 53187-93-2

CAS 53187-93-2 is the registry number for Sitakisogenin. Offered by: MedChemExpress. Available pack sizes: 10 mg, 1 mg, 5 mg.

Structural formula: {0} (CAS {1})

(3S,4aS,5S,6aR,6aS,6bR,8aR,10S,12aR,14bS)-4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-3,5,10-triol (CAS 53187-93-2) is a chemical compound with the molecular formula C30H50O4 and a molecular weight of 474.7 g/mol. IUPAC name: (3S,4aS,5S,6aR,6aS,6bR,8aR,10S,12aR,14bS)-4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-3,5,10-triol. InChIKey: XRTLKHZNPLDRSH-XRWCDFGBSA-N.

Identity
Molecular formulaC30H50O4
Molecular weight474.7 g/mol
IUPAC name(3S,4aS,5S,6aR,6aS,6bR,8aR,10S,12aR,14bS)-4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-3,5,10-triol
InChIKeyXRTLKHZNPLDRSH-XRWCDFGBSA-N
SMILESC[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(C[C@@H]([C@@]5([C@H]4CC([C@H](C5)O)(C)C)CO)O)C)C)(C)C)O

Computed by PubChem (NCBI)