For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Pregnan-20-one, 3,21-bis[(trimethylsilyl)oxy]-, O-methyloxime, (3.alpha.,5.beta.,20E)-
SpectraBase Compound ID HlW9hV8NEYK
InChI InChI=1S/C28H53NO3Si2/c1-27-16-14-21(32-34(7,8)9)18-20(27)10-11-22-23-12-13-25(28(23,2)17-15-24(22)27)26(29-30-3)19-31-33(4,5)6/h20-25H,10-19H2,1-9H3/b29-26-/t20-,21-,22+,23+,24+,25-,27+,28+/m1/s1
InChIKey XPDALQOLOZEWHW-CCGWVZNDSA-N
Mol Weight 507.9 g/mol
Molecular Formula C28H53NO3Si2
Exact Mass 507.356398 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID G50JIlnCfjj
Name Pregnan-20-one, 3,21-bis[(trimethylsilyl)oxy]-, O-methyloxime, (3.alpha.,5.beta.,20E)-
Alternate Name(s) (3alpha,5beta)-3,21-bis[(trimethylsilyl)oxy]pregnan-20-one O-methyloxime Tetrahydrodeoxycorticosterone
CAS Registry Number 86196-21-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H53NO3Si2
InChI InChI=1S/C28H53NO3Si2/c1-27-16-14-21(32-34(7,8)9)18-20(27)10-11-22-23-12-13-25(28(23,2)17-15-24(22)27)26(29-30-3)19-31-33(4,5)6/h20-25H,10-19H2,1-9H3/b29-26-/t20-,21-,22+,23+,24+,25-,27+,28+/m1/s1
InChIKey XPDALQOLOZEWHW-CCGWVZNDSA-N
Molecular Weight 507.906 g/mol
SMILES [C@@]12([C@]([C@@]3(CC[C@]4([C@@]([C@]3(CC2)[H])(CC[C@@](O[Si](C)(C)C)(C4)[H])C)[H])[H])(CC[C@@]1(\C(CO[Si](C)(C)C)=N/OC)[H])[H])C
SPLASH splash10-0570-0901530000-1fd8de98169299b31b54
Source of Spectrum KO-9-507-3
Wiley ID 1400048