Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C39H68O3Si2 |
| Molecular Weight | 641.1264 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 7 / 7 |
| E/Z Centers | 3 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C3\C[C@H](C[C@H](O[Si](C)(C)C(C)(C)C)C3=C)O[Si](C)(C)C(C)(C)C)[C@H](C)\C=C\[C@@H](O)C4CC4
InChI
InChIKey=DIMYHZDULFSWLS-OABMYDGKSA-N
InChI=1S/C39H68O3Si2/c1-27(16-23-35(40)30-18-19-30)33-21-22-34-29(15-14-24-39(33,34)9)17-20-31-25-32(41-43(10,11)37(3,4)5)26-36(28(31)2)42-44(12,13)38(6,7)8/h16-17,20,23,27,30,32-36,40H,2,14-15,18-19,21-22,24-26H2,1,3-13H3/b23-16+,29-17+,31-20-/t27-,32-,33-,34+,35-,36+,39-/m1/s1
DescriptionCurator's Comment: The description was created based on several sources, including
http://google.com/patents/CN103694156A
Curator's Comment: The description was created based on several sources, including
http://google.com/patents/CN103694156A
24-Cyclopropyl-1α,3β-BIS(((1,1-Dimethylethyl)dimethylsilyl)oxy)-9,10-secochola-5,7,10(19),22-tetraen-24-ol, (5Z,7E,22E,24S)- is the tert-Butyldimethylsilyl ether conjugate of Calcipotriene (C144200), a vitamin D3 analogue with potential antitumor activities. 24-Cyclopropyl-1α,3β-BIS(((1,1-Dimethylethyl)dimethylsilyl)oxy)-9,10-secochola-5,7,10(19),22-tetraen-24-ol, (5Z,7E,22E,24S)- is used in Calcipotriol synthesis. The physiological and toxicological properties of this compound have not been evaluated.
Originator
Approval Year
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71587427
Created by
admin on Sat Dec 16 01:39:55 GMT 2023 , Edited by admin on Sat Dec 16 01:39:55 GMT 2023
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4SP93VP62P
Created by
admin on Sat Dec 16 01:39:55 GMT 2023 , Edited by admin on Sat Dec 16 01:39:55 GMT 2023
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112875-61-3
Created by
admin on Sat Dec 16 01:39:55 GMT 2023 , Edited by admin on Sat Dec 16 01:39:55 GMT 2023
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