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(3.beta.)-Cholestan-3-ol nitrate
SpectraBase Compound ID 7OKrnLxDD7
InChI InChI=1S/C27H47NO3/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(31-28(29)30)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-25H,6-17H2,1-5H3/t19-,20?,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey OZQXYDJRVCNEDZ-UJOPKFNNSA-N
Mol Weight 433.7 g/mol
Molecular Formula C27H47NO3
Exact Mass 433.355594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7kFFltKo0FS
Name (3.beta.)-Cholestan-3-ol nitrate
CAS Registry Number 71883-62-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H47NO3
InChI InChI=1S/C27H47NO3/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(31-28(29)30)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-25H,6-17H2,1-5H3/t19-,20?,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey OZQXYDJRVCNEDZ-UJOPKFNNSA-N
Molecular Weight 433.677 g/mol
SMILES [C@@]12([C@]([C@@]3(CCC4[C@@]([C@]3(CC2)[H])(CC[C@](ON(=O)=O)(C4)[H])C)[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C
SPLASH splash10-0059-0091200000-c29c8103248582df5e1c
Source of Spectrum J-44-4574-1
Synonyms (3beta)-cholestan-3-yl nitrate
Wiley ID 1382734