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4-Pregnene-17a,20b,21-triol-3-one MO TMS
SpectraBase Compound ID 1K6Sutv59VA
InChI InChI=1S/C31H59NO4Si3/c1-29-18-15-24(32-33-3)21-23(29)13-14-25-26(29)16-19-30(2)27(25)17-20-31(30,36-39(10,11)12)28(35-38(7,8)9)22-34-37(4,5)6/h21,25-28H,13-20,22H2,1-12H3/b32-24+/t25-,26+,27+,28+,29+,30+,31+/m1/s1
InChIKey VQKWGPZGEROFQY-NQUBRAHTSA-N
Mol Weight 594.1 g/mol
Molecular Formula C31H59NO4Si3
Exact Mass 593.375189 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EWA9iP9oAlM
Name 4-Pregnene-17a,20b,21-triol-3-one MO TMS
Alternate Name(s) (20S)-17,20,21-tris[(trimethylsilyl)oxy]pregn-4-en-3-one O-methyloxime (E,8R,9S,10R,13S,14S,17R)-17-[(1S)-1,2-bis(trimethylsilyloxy)ethyl]-N-methoxy-10,13-dimethyl-17-trimethylsilyloxy-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-imine
CAS Registry Number 57325-74-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H59NO4Si3
InChI InChI=1S/C31H59NO4Si3/c1-29-18-15-24(32-33-3)21-23(29)13-14-25-26(29)16-19-30(2)27(25)17-20-31(30,36-39(10,11)12)28(35-38(7,8)9)22-34-37(4,5)6/h21,25-28H,13-20,22H2,1-12H3/b32-24+/t25-,26+,27+,28+,29+,30+,31+/m1/s1
InChIKey VQKWGPZGEROFQY-NQUBRAHTSA-N
Molecular Weight 594.071 g/mol
SMILES [C@@]1([C@@]2([C@@]([C@@]3(CCC=4[C@@]([C@]3(CC2)[H])(CC\C(=N/OC)C4)C)[H])([H])CC1)C)([C@@](O[Si](C)(C)C)(CO[Si](C)(C)C)[H])O[Si](C)(C)C
SPLASH splash10-007d-8898200000-843969d2a79d07ac0141
Source of Spectrum JZ-1992-3052-0
Wiley ID 1409583