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Pregnane-21-carboxylic acid, 17-hydroxy-3-[(trimethylsilyl)oxy]-, .gamma.-lactone, (3.beta.,5.beta.,17.alpha.)-
SpectraBase Compound ID CYqHH7JEDzP
InChI InChI=1S/C25H42O3Si/c1-23-12-8-18(28-29(3,4)5)16-17(23)6-7-19-20(23)9-13-24(2)21(19)10-14-25(24)15-11-22(26)27-25/h17-21H,6-16H2,1-5H3/t17-,18+,19-,20+,21+,23+,24+,25+/m1/s1
InChIKey BFCMYRAPARSJGU-WMJDIJQNSA-N
Mol Weight 418.7 g/mol
Molecular Formula C25H42O3Si
Exact Mass 418.290322 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1HWrIFIClE
Name Pregnane-21-carboxylic acid, 17-hydroxy-3-[(trimethylsilyl)oxy]-, .gamma.-lactone, (3.beta.,5.beta.,17.alpha.)-
CAS Registry Number 70284-89-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H42O3Si
InChI InChI=1S/C25H42O3Si/c1-23-12-8-18(28-29(3,4)5)16-17(23)6-7-19-20(23)9-13-24(2)21(19)10-14-25(24)15-11-22(26)27-25/h17-21H,6-16H2,1-5H3/t17-,18+,19-,20+,21+,23+,24+,25+/m1/s1
InChIKey BFCMYRAPARSJGU-WMJDIJQNSA-N
Molecular Weight 418.693 g/mol
SMILES [C@]12([C@]3(OC(=O)CC3)CC[C@]1([C@@]1(CC[C@]3([C@@]([C@]1(CC2)[H])(CC[C@](O[Si](C)(C)C)(C3)[H])C)[H])[H])[H])C
SPLASH splash10-05r0-0396100000-2684671a257d28f1aa43
Source of Spectrum O-14-444-2
Synonyms Spiro[17H-cyclopenta[a]phenanthrene-17,2'(5'H)-furan], pregnane-21-carboxylic acid deriv. (1'S,2S,2'S,5'S,7'R,10'R,11'S,15'S)-2',15'-dimethyl-5'-[(trimethylsilyl)oxy]spiro[oxolane-2,14'-tetracyclo[8.7.0.0(2,7).0(11,15)]heptadecane]-5-one 3.beta.-hydroxy-4,5.beta.,6,7-tetrahydro-3-deoxocanrenone trimethylsilyloxyether Trimethylsilyl ether of 3.beta.,17.beta.-dihydroxy-5.beta.,17.alpha.-pregnane-21-carboxylic acid .gamma.-lactone
Wiley ID 1377335