Products 16962-91-7

CAS 16962-91-7 is the registry number for Odoratol. Offered by: Chemat Brand. Available pack sizes: on request.

Odoratol
Chemat Brand
  • size: on request
  • Variants: 1
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Structural formula: {0} (CAS {1})

5-[(1R)-1-[(3R,5R,9R,10R,13S,14S,17S)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]-2,2-dimethyloxolane-3,4-diol (CAS 16962-91-7) is a chemical compound with the molecular formula C30H50O4 and a molecular weight of 474.7 g/mol. IUPAC name: 5-[(1R)-1-[(3R,5R,9R,10R,13S,14S,17S)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]-2,2-dimethyloxolane-3,4-diol. InChIKey: YOUXXTAYUXXFPG-SRPYFFJNSA-N.

Identity
Molecular formulaC30H50O4
Molecular weight474.7 g/mol
IUPAC name5-[(1R)-1-[(3R,5R,9R,10R,13S,14S,17S)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]-2,2-dimethyloxolane-3,4-diol
InChIKeyYOUXXTAYUXXFPG-SRPYFFJNSA-N
SMILESC[C@H]([C@@H]1CC[C@]2([C@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CC[C@H](C4(C)C)O)C)C)C)C5C(C(C(O5)(C)C)O)O

Computed by PubChem (NCBI)

Isomers (same molecular formula)
diundecyl benzene-1,2-dicarboxylate C30H50O4
bis(9-methyldecyl) benzene-1,2-dicarboxylate C30H50O4
(3S,8S,9R,10R,13R,14S,17R)-17-[(2R,5R)-5,6-dihydroxy-6-methylheptan-2-yl]-3-hydroxy-4,4,9,13,14-pentamethyl-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one C30H50O4