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1beta.,3.beta.,16.beta.-trihydroxy-pregnan-20-one, tri-TMS ether
SpectraBase Compound ID 1o3hzDq9Iw
InChI InChI=1S/C30H58O4Si3/c1-20(31)28-26(33-36(7,8)9)19-25-23-14-13-21-17-22(32-35(4,5)6)18-27(34-37(10,11)12)30(21,3)24(23)15-16-29(25,28)2/h21-28H,13-19H2,1-12H3/t21?,22-,23-,24+,25+,26+,27-,28+,29+,30+/m1/s1
InChIKey TWRBBKDOJSRDLF-PCRVHAHVSA-N
Mol Weight 567.0 g/mol
Molecular Formula C30H58O4Si3
Exact Mass 566.36429 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AiUnaMuSgu8
Name 1beta.,3.beta.,16.beta.-trihydroxy-pregnan-20-one, tri-TMS ether
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H58O4Si3
InChI InChI=1S/C30H58O4Si3/c1-20(31)28-26(33-36(7,8)9)19-25-23-14-13-21-17-22(32-35(4,5)6)18-27(34-37(10,11)12)30(21,3)24(23)15-16-29(25,28)2/h21-28H,13-19H2,1-12H3/t21?,22-,23-,24+,25+,26+,27-,28+,29+,30+/m1/s1
InChIKey TWRBBKDOJSRDLF-PCRVHAHVSA-N
Molecular Weight 567.045 g/mol
SMILES [C@@]12([C@]([C@@]3(CCC4[C@@]([C@]3(CC2)[H])([C@@](C[C@@](C4)(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])C)[H])(C[C@@]([C@@]1(C(=O)C)[H])(O[Si](C)(C)C)[H])[H])C
SPLASH splash10-014i-0290110000-ddb62cb97361dfcaf926
Source of Spectrum AH-106-1422-27
Synonyms (1beta,3beta,16beta)-1,3,16-tris[(trimethylsilyl)oxy]pregnan-20-one 1.zeta.,3.zeta.,16.zeta.-trihydroxy-pregnan-20-one, tri-TMS ether
Wiley ID 1407310