Products 2106840-41-7

CAS 2106840-41-7 is the registry number for Calcipotriol Impurity 9. Offered by: Chemat Brand. Available pack sizes: on request.

Calcipotriol Impurity 9
Chemat Brand
  • size: on request
  • Variants: 1
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(1R,3aR,7aR)-1-[(E,2R,5S)-5-cyclopropyl-5-hydroxypent-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one (CAS 2106840-41-7) is a chemical compound with the molecular formula C18H28O2 and a molecular weight of 276.4 g/mol. IUPAC name: (1R,3aR,7aR)-1-[(E,2R,5S)-5-cyclopropyl-5-hydroxypent-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one. InChIKey: LGESMZQEZYWQDV-MYRCJXPOSA-N.

Identity
Molecular formulaC18H28O2
Molecular weight276.4 g/mol
IUPAC name(1R,3aR,7aR)-1-[(E,2R,5S)-5-cyclopropyl-5-hydroxypent-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one
InChIKeyLGESMZQEZYWQDV-MYRCJXPOSA-N
SMILESC[C@H](/C=C/[C@H](C1CC1)O)[C@H]2CC[C@@H]3[C@@]2(CCCC3=O)C

Computed by PubChem (NCBI)

Synonyms: Calcipotriol Impurity 40, Calcipotriol Impurity 62
Isomers (same molecular formula)
phenyl dodecanoate C18H28O2
ethyl 2,4,6-tri(propan-2-yl)benzoate C18H28O2
1-(4-hydroxyphenyl)dodecan-1-one C18H28O2
2-(1-adamantyl)butan-2-yl 2-methylprop-2-enoate C18H28O2
ethyl (6Z,9Z,12Z)-hexadeca-6,9,12,15-tetraenoate C18H28O2
(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoic acid C18H28O2
(3S,8R,9S,13S,14S,17S)-13-methyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,17-diol C18H28O2
(3R,5S,8R,9R,10S,13S,14S)-3-hydroxy-13-methyl-2,3,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydro-1H-cyclopenta[a]phenanthren-17-one C18H28O2
(3R,5S,8R,9R,10S,13S,14S)-2,2,3,4,4-pentadeuterio-3-hydroxy-13-methyl-1,5,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one C18H28O2
(3S,8R,9S,10R,13S,14S,17S)-13-methyl-1,2,3,4,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,17-diol C18H28O2
(3S,5S,8R,9R,10S,13S,14S)-3-hydroxy-13-methyl-2,3,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydro-1H-cyclopenta[a]phenanthren-17-one C18H28O2
(3R,5R,8R,9R,10S,13S,14S)-3-hydroxy-13-methyl-2,3,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydro-1H-cyclopenta[a]phenanthren-17-one C18H28O2