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Cholesteryl N-(17-benzylthio)-3,6,9,12,15-pentaoxaheptadecylurethane
SpectraBase Compound ID Ddq2kIaE5W
InChI InChI=1S/C47H77NO7S/c1-36(2)10-9-11-37(3)42-16-17-43-41-15-14-39-34-40(18-20-46(39,4)44(41)19-21-47(42,43)5)55-45(49)48-22-23-50-24-25-51-26-27-52-28-29-53-30-31-54-32-33-56-35-38-12-7-6-8-13-38/h6-8,12-14,36-37,40-44H,9-11,15-35H2,1-5H3,(H,48,49)/t37-,40?,41?,42-,43?,44?,46+,47-/m1/s1
InChIKey XJMOPTDLBYHDQU-IKFOWWFOSA-N
Mol Weight 800.2 g/mol
Molecular Formula C47H77NO7S
Exact Mass 799.542075 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ENq3oilTySl
Name Cholesteryl N-(17-benzylthio)-3,6,9,12,15-pentaoxaheptadecylurethane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C47H77NO7S
InChI InChI=1S/C47H77NO7S/c1-36(2)10-9-11-37(3)42-16-17-43-41-15-14-39-34-40(18-20-46(39,4)44(41)19-21-47(42,43)5)55-45(49)48-22-23-50-24-25-51-26-27-52-28-29-53-30-31-54-32-33-56-35-38-12-7-6-8-13-38/h6-8,12-14,36-37,40-44H,9-11,15-35H2,1-5H3,(H,48,49)/t37-,40?,41?,42-,43?,44?,46+,47-/m1/s1
InChIKey XJMOPTDLBYHDQU-IKFOWWFOSA-N
Molecular Weight 800.193 g/mol
SMILES N(C(OC1CC[C@@]2(C3CC[C@]4(C(C3CC=C2C1)CC[C@@]4([C@@](CCCC(C)C)(C)[H])[H])C)C)=O)CCOCCOCCOCCOCCOCCSCc1ccccc1
SPLASH splash10-000i-0009000000-df17ed6991dbed2f51eb
Source of Spectrum F-53-10947-13
Synonyms Cholest-5-en-3-yl 19-phenyl-3,6,9,12,15-pentaoxa-18-thianonadec-1-ylcarbamate
Wiley ID 803334