Calcipotriene
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Names
[ CAS No. ]:
112828-00-9
[ Name ]:
Calcipotriene
[Synonym ]:
(1S,3R,5Z,7E,14ξ,22E,24S)-26,27-Cyclo-9,10-secocholesta-5,7,10,22-tetraene-1,3,24-triol
(1R,3S,5Z)-5-[(2E)-2-[1-[(E,2R,5R)-5-Cyclopropyl-5-hydroxypent-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
CALCIPOTRIOL
24-CYCLOPROPYL-(1ALPHA,3BETA,5Z,7E,22E,24S)-9,10-SECOCHOLA-5,7,10(19),22-TETRAENE-1,3,24-TRIOL
MFCD00866630
1,3-Cyclohexanediol, 5-[(2E)-2-[(1R,7aR)-1-[(1R,2E,4S)-4-cyclopropyl-4-hydroxy-1-methyl-2-buten-1-yl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylene-, (1R,3S,5Z)-
(1s,3s,5z)-5-[(2e)-2-[(1r,3ar,7ar)-1-[(e,2s)-5-cyclopropyl-5-hydroxy-pent-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
Chemical & Physical Properties
[ Density]:
1.1±0.1 g/cm3
[ Boiling Point ]:
582.0±50.0 °C at 760 mmHg
[ Molecular Formula ]:
C27H40O3
[ Molecular Weight ]:
412.605
[ Flash Point ]:
250.6±24.7 °C
[ Exact Mass ]:
412.297760
[ PSA ]:
60.69000
[ LogP ]:
5.43
[ Vapour Pressure ]:
0.0±3.7 mmHg at 25°C
[ Index of Refraction ]:
1.580