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O-Cholestan-3.beta.-yl 2,2,2-trichloroselenoacetate
SpectraBase Compound ID IgN4NY5NM6T
InChI InChI=1S/C29H47Cl3OSe/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(33-26(34)29(30,31)32)13-15-27(20,4)25(22)14-16-28(23,24)5/h18-25H,6-17H2,1-5H3/t19-,20?,21+,22?,23-,24?,25?,27+,28-/m1/s1
InChIKey SMSAVFLYRZRBBS-PJIDKZRASA-N
Mol Weight 597.0 g/mol
Molecular Formula C29H47Cl3OSe
Exact Mass 596.185771 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Nd5fh0aEOq
Name O-Cholestan-3.beta.-yl 2,2,2-trichloroselenoacetate
Alternate Name(s) O-[(3beta)-cholestan-3-yl]trichloroethaneselenoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H47Cl3OSe
InChI InChI=1S/C29H47Cl3OSe/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(33-26(34)29(30,31)32)13-15-27(20,4)25(22)14-16-28(23,24)5/h18-25H,6-17H2,1-5H3/t19-,20?,21+,22?,23-,24?,25?,27+,28-/m1/s1
InChIKey SMSAVFLYRZRBBS-PJIDKZRASA-N
Molecular Weight 597.025 g/mol
SMILES [C@@]12(C(C3CCC4[C@@](C3CC2)(CC[C@](OC(C(Cl)(Cl)Cl)=[Se])(C4)[H])C)CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])C
SPLASH splash10-00di-6309000000-bdf6e69d263c66521f90
Source of Spectrum F-52-11172-6
Wiley ID 798252