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9,10-Secochola-5,7,10(19),22-tetraen-24-ol, 24-cyclopropyl-1,3-bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, (1.alpha.,3.beta.,5E,7E,22E,24R)-
SpectraBase Compound ID 8l6xU5ZafYR
InChI 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
InChIKey DIMYHZDULFSWLS-YIHGZNEISA-N
Mol Weight 641.1 g/mol
Molecular Formula C39H68O3Si2
Exact Mass 640.470699 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7d2B78ZhERB
Name 9,10-Secochola-5,7,10(19),22-tetraen-24-ol, 24-cyclopropyl-1,3-bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, (1.alpha.,3.beta.,5E,7E,22E,24R)-
CAS Registry Number 112849-26-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C39H68O3Si2
InChI 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
InChIKey DIMYHZDULFSWLS-YIHGZNEISA-N
Molecular Weight 641.140 g/mol
SMILES OC(C1CC1)\C=C\[C@]([C@@]1([C@@]2(C(\C(=C\C=C/3C(C(O[Si](C(C)(C)C)(C)C)CC(C3)O[Si](C(C)(C)C)(C)C)=C)CCC2)CC1)C)[H])(C)[H]
SPLASH splash10-0002-0091131000-85d7d024b6e9eda9968d
Source of Spectrum F-43-4618-27
Synonyms (5Z,7E,22E)-1,3-bis{[tert-butyl(dimethyl)silyl]oxy}-24-cyclopropyl-9,10-secochola-5,7,10,22-tetraen-24-ol 1(S),3(R)-bis(t-butyldimethylsilyloxy)-20(R)-(3'(R)-cyclopropyl-3'-hydroxyprop-1'(E)-enyl)-9,10-secopreqna-5(Z),7(E),10(19)-triene
Wiley ID 1412661