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3'-.alpha.-Chloro-2'-oxopyrrolidino[4',5':2,3](2R,3S)-5.alpha.-cholestane

View entire compound with spectra: 2 MS (GC)

3'-.alpha.-Chloro-2'-oxopyrrolidino[4',5':2,3](2R,3S)-5.alpha.-cholestane
SpectraBase Compound ID 9LQ0nKlhyme
InChI InChI=1S/C29H48ClNO/c1-17(2)7-6-8-18(3)22-11-12-23-20-10-9-19-15-25-21(26(30)27(32)31-25)16-29(19,5)24(20)13-14-28(22,23)4/h17-26H,6-16H2,1-5H3,(H,31,32)/t18-,19?,20+,21-,22-,23+,24+,25+,26-,28-,29+/m1/s1
InChIKey XHVXWDULBMQCAQ-LPAHWZIVSA-N
Mol Weight 462.2 g/mol
Molecular Formula C29H48ClNO
Exact Mass 461.342443 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3APFLbmNJDA
Name 3'-.alpha.-Chloro-2'-oxopyrrolidino[4',5':2,3](2R,3S)-5.alpha.-cholestane
Alternate Name(s) 3'.alpha.-Chloro-2'-oxopyrrolidino[4',5':2,3](2R,3S)-5.alpha.-cholestane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H48ClNO
InChI InChI=1S/C29H48ClNO/c1-17(2)7-6-8-18(3)22-11-12-23-20-10-9-19-15-25-21(26(30)27(32)31-25)16-29(19,5)24(20)13-14-28(22,23)4/h17-26H,6-16H2,1-5H3,(H,31,32)/t18-,19?,20+,21-,22-,23+,24+,25+,26-,28-,29+/m1/s1
InChIKey XHVXWDULBMQCAQ-LPAHWZIVSA-N
Molecular Weight 462.162 g/mol
SMILES N1C([C@@]([C@@]2(C[C@]3(C(C[C@]12[H])CC[C@@]1([C@@]3(CC[C@@]2([C@](CC[C@@]12[H])([C@@](CCCC(C)C)(C)[H])[H])C)[H])[H])C)[H])(Cl)[H])=O
SPLASH splash10-0a4i-8319300000-d5a2ea68de3d40d59f90
Source of Spectrum F-62-1076-17
Wiley ID 1632121