For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
9,10-Secochola-5,7,10(19)-trien-24-one, 24-cyclopropyl-1,3-bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, (1.alpha.,3.beta.,5E,7E)-
SpectraBase Compound ID 4VBHIH2ihUz
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/h17,20,27,30,32-34,36H,2,14-16,18-19,21-26H2,1,3-13H3/b29-17+,31-20+/t27?,32?,33?,34-,36?,39+/m0/s1
InChIKey FOJVNMQZRKYOTJ-NUPWIJPPSA-N
Mol Weight 641.1 g/mol
Molecular Formula C39H68O3Si2
Exact Mass 640.470699 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 22xRnm42ofz
Name 9,10-Secochola-5,7,10(19)-trien-24-one, 24-cyclopropyl-1,3-bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, (1.alpha.,3.beta.,5E,7E)-
CAS Registry Number 112849-23-7
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/h17,20,27,30,32-34,36H,2,14-16,18-19,21-26H2,1,3-13H3/b29-17+,31-20+/t27?,32?,33?,34-,36?,39+/m0/s1
InChIKey FOJVNMQZRKYOTJ-NUPWIJPPSA-N
Molecular Weight 641.140 g/mol
SMILES [C@]12([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)CCC1)(CCC2C(CCC(C1CC1)=O)C)[H])C
SPLASH splash10-0002-0090031000-a3864b6b878521e2cee6
Source of Spectrum F-43-4616-19
Synonyms (5E,7E)-1,3-bis{[tert-butyl(dimethyl)silyl]oxy}-24-cyclopropyl-9,10-secochola-5,7,10-trien-24-one 1(S),3(R)-bis(t-butyldimethylsilyloxy)-20(R)-(3'-cyclopropyl-3'-oxopropyl)-9,10-secopregna-5(E),7(E),10(19)-triene
Wiley ID 1412660