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3.beta.,16.alpha.,20.alpha.,21-tetrahydroxy-pregn-5-ene, tetra-TMS ether
SpectraBase Compound ID FlXmQcSBK4g
InChI InChI=1S/C33H66O4Si4/c1-32-19-17-25(35-39(6,7)8)21-24(32)15-16-26-27(32)18-20-33(2)28(26)22-29(36-40(9,10)11)31(33)30(37-41(12,13)14)23-34-38(3,4)5/h15,25-31H,16-23H2,1-14H3/t25-,26+,27-,28-,29+,30+,31+,32-,33-/m0/s1
InChIKey LZJLBNMYZSAEIE-QBJNYFEHSA-N
Mol Weight 639.2 g/mol
Molecular Formula C33H66O4Si4
Exact Mass 638.403817 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 54F1t2RpfU
Name 3.beta.,16.alpha.,20.alpha.,21-tetrahydroxy-pregn-5-ene, tetra-TMS ether
Alternate Name(s) (3beta,16alpha,20S)-3,16,20,21-tetrakis[(trimethylsilyl)oxy]pregn-5-ene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H66O4Si4
InChI InChI=1S/C33H66O4Si4/c1-32-19-17-25(35-39(6,7)8)21-24(32)15-16-26-27(32)18-20-33(2)28(26)22-29(36-40(9,10)11)31(33)30(37-41(12,13)14)23-34-38(3,4)5/h15,25-31H,16-23H2,1-14H3/t25-,26+,27-,28-,29+,30+,31+,32-,33-/m0/s1
InChIKey LZJLBNMYZSAEIE-QBJNYFEHSA-N
Molecular Weight 639.227 g/mol
SMILES [C@@]12([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CC[C@](O[Si](C)(C)C)(C4)[H])C)[H])(C[C@]([C@@]1([C@](O[Si](C)(C)C)(CO[Si](C)(C)C)[H])[H])(O[Si](C)(C)C)[H])[H])C
SPLASH splash10-00ks-0074890000-3463b4feee7e0e4c5eca
Source of Spectrum AH-106-1423-41
Wiley ID 1412494