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TMS(3)-5.beta.-pregnane-3.alpha.,11.beta.,20.alpha.-triol
SpectraBase Compound ID E5Op5bNVE6a
InChI InChI=1S/C30H60O3Si3/c1-21(31-34(4,5)6)25-15-16-26-24-14-13-22-19-23(32-35(7,8)9)17-18-29(22,2)28(24)27(20-30(25,26)3)33-36(10,11)12/h21-28H,13-20H2,1-12H3/t21-,22?,23-,24-,25-,26+,27+,28-,29+,30-/m1/s1
InChIKey NWGHCYXPXWBNLK-QCNRTDTMSA-N
Mol Weight 553.1 g/mol
Molecular Formula C30H60O3Si3
Exact Mass 552.385025 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 14MmPyuujbh
Name TMS(3)-5.beta.-pregnane-3.alpha.,11.beta.,20.alpha.-triol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H60O3Si3
InChI InChI=1S/C30H60O3Si3/c1-21(31-34(4,5)6)25-15-16-26-24-14-13-22-19-23(32-35(7,8)9)17-18-29(22,2)28(24)27(20-30(25,26)3)33-36(10,11)12/h21-28H,13-20H2,1-12H3/t21-,22?,23-,24-,25-,26+,27+,28-,29+,30-/m1/s1
InChIKey NWGHCYXPXWBNLK-QCNRTDTMSA-N
Molecular Weight 553.062 g/mol
SMILES [C@@]12([C@]([C@]3(CCC4[C@@]([C@]3([C@](C2)(O[Si](C)(C)C)[H])[H])(CC[C@@](O[Si](C)(C)C)(C4)[H])C)[H])(CC[C@@]1([C@](O[Si](C)(C)C)(C)[H])[H])[H])C
SPLASH splash10-014i-0921000000-f1adb48fea6d988b7b52
Source of Spectrum KO-14-634-1
Synonyms (3alpha,8alpha,11beta,20R)-3,11,20-tris[(trimethylsilyl)oxy]pregnane 3,11,20-bis(trimethylsilyloxy)-5-pregnane TMS(3)-5.alpha.-pregnane-3.alpha.,11.beta.,20.alpha.-triol
Wiley ID 1405967