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4'-.alpha.-Chloro-3'-hydroxyimino(4'H)-2-.beta.,3.beta.-dihydrocyclobuta[2,3]-cholestane
SpectraBase Compound ID JCYCAZMIyC5
InChI InChI=1S/C29H48ClNO/c1-17(2)7-6-8-18(3)23-11-12-24-20-10-9-19-15-21-22(26(30)27(21)31-32)16-29(19,5)25(20)13-14-28(23,24)4/h17-26,32H,6-16H2,1-5H3/b31-27-/t18-,19?,20?,21+,22-,23?,24?,25?,26-,28-,29+/m1/s1
InChIKey KZBKNTMUWDGBFL-TWPAJBTISA-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 E0yiQI2G5O0
Name 4'-.alpha.-Chloro-3'-hydroxyimino(4'H)-2-.beta.,3.beta.-dihydrocyclobuta[2,3]-cholestane
Alternate Name(s) 4'.alpha.-Chloro-3'-hydroxyimino(4'H)-2.beta.,3.beta.-dihydrocyclobuta[2,3]-cholestane (6aS,7Z,8R,8aR,9aS,11aR)-8-chloro-1-[(1R)-1,5-dimethylhexyl]-9a,11a-dimethyloctadecahydro-7H-cyclobuta[h]cyclopenta[a]phenanthren-7-one oxime 4'-.alpha.-Chloro-3'-hydroxyimino(4'H)-2-.beta.,3.beta.-dihydrocyclobuta[2,3]-5.alpha.-cholestane
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Formula C29H48ClNO
InChI InChI=1S/C29H48ClNO/c1-17(2)7-6-8-18(3)23-11-12-24-20-10-9-19-15-21-22(26(30)27(21)31-32)16-29(19,5)25(20)13-14-28(23,24)4/h17-26,32H,6-16H2,1-5H3/b31-27-/t18-,19?,20?,21+,22-,23?,24?,25?,26-,28-,29+/m1/s1
InChIKey KZBKNTMUWDGBFL-TWPAJBTISA-N
Molecular Weight 462.162 g/mol
SMILES O\N=C\1[C@@]2([C@@](C[C@@]3(C4C(C5CCC([C@]5(CC4)C)[C@@](CCCC(C)C)(C)[H])CCC3C2)C)([C@]1(Cl)[H])[H])[H]
SPLASH splash10-0bta-0005900000-77007657af3b8fadc56f
Source of Spectrum F-62-1076-16
Wiley ID 1632024