Seocalcitol
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Names
[ CAS No. ]:
134404-52-7
[ Name ]:
Seocalcitol
[Synonym ]:
(1R,3S,5E)-5-[(2E)-2-{(1R,3aS,7aR)-1-[(2R,3E,5E)-7-ethyl-7-hydroxynona-3,5-dien-2-yl]-7a-methyloctahydro-4H-inden-4-ylidene}ethylidene]-4-methylidenecyclohexane-1,3-diol (non-preferred name)
(1R,3S,5E)-5-[(2E)-2-{(1R,3aS,7aR)-1-[(2R,3E,5E)-7-Ethyl-7-hydroxy-3,5-nonadien-2-yl]-7a-methyloctahydro-4H-inden-4-ylidene}ethylidene]-4-methylene-1,3-cyclohexanediol
1,3-Cyclohexanediol, 5-[(2E)-2-[(1R,3aS,7aR)-1-[(1R,2E,4E)-6-ethyl-6-hydroxy-1-methyl-2,4-octadien-1-yl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylene-, (1R,3S,5E)-
(1R,3S,5E)-5-[(2E)-2-{(1R,3aS,7aR)-1-[(2R,3E,5E)-7-Ethyl-7-hydroxynona-3,5-dien-2-yl]-7a-methyloctahydro-4H-inden-4-ylidene}ethylidene]-4-methylenecyclohexane-1,3-diol (non-preferred name)
(1R-(1a(1R*,2E,4E),3ab,4E(1R*,3S*,5Z),7aa))-5-((1-(6-Ethyl-6-hydroxy-1-methyl-2,4-octadienyl)octahydro-7a-methyl-4H-inden-4-ylidene)ethylidene)-4-methylene-1,3-cyclohexanediol
Seocalcitol
(1R,3S,5E)-5-[(2E)-2-{(1R,3aS,7aR)-1-[(2R,3E,5E)-7-Ethyl-7-hydroxynona-3,5-dien-2-yl]-7a-methyloctahydro-4H-inden-4-yliden}ethyliden]-4-methylencyclohexan-1,3-diol (non-preferred name)
1(S),3(R)-dihydroxy-20(R)-(5'-ethyl-5'-hydroxyhepta-1'(E),3'(E)-dien-1'-yl)-9,10-secopregna-5(Z),7(E),10(19)-triene
Chemical & Physical Properties
[ Density]:
1.1±0.1 g/cm3
[ Boiling Point ]:
608.5±55.0 °C at 760 mmHg
[ Molecular Formula ]:
C30H46O3
[ Molecular Weight ]:
454.684
[ Flash Point ]:
252.3±26.1 °C
[ Exact Mass ]:
454.344696
[ PSA ]:
60.69000
[ LogP ]:
7.02
[ Vapour Pressure ]:
0.0±4.0 mmHg at 25°C
[ Index of Refraction ]:
1.560
[ Storage condition ]:
2-8℃