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(1R,3R,13R)-3,5-Bis(tert-butyldimethylsiloxy)-22-acetoxy-19-norvitamin-D3

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(1R,3R,13R)-3,5-Bis(tert-butyldimethylsiloxy)-22-acetoxy-19-norvitamin-D3
SpectraBase Compound ID 6npzswL03YN
InChI InChI=1S/C35H64O4Si2/c1-25(24-37-26(2)36)31-18-19-32-28(15-14-20-35(31,32)9)17-16-27-21-29(38-40(10,11)33(3,4)5)23-30(22-27)39-41(12,13)34(6,7)8/h16-17,25,29-32H,14-15,18-24H2,1-13H3/b28-17+/t25-,29-,30-,31?,32+,35-/m1/s1
InChIKey YCHUKEHZMIJRQC-XZANKUESSA-N
Mol Weight 605.1 g/mol
Molecular Formula C35H64O4Si2
Exact Mass 604.434314 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 68IcRfTNRgt
Name (1R,3R,13R)-3,5-Bis(tert-butyldimethylsiloxy)-22-acetoxy-19-norvitamin-D3
Alternate Name(s) (2S)-2-((1R,3R,7E)-1,3-bis{[tert-butyl(dimethyl)silyl]oxy}-9,10-secoestra-5,7-dien-17-yl)propyl acetate 3,5-Bis(tert-butyldimethylsiloxy)-22-acetoxy-19-norvitamin-D3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H64O4Si2
InChI InChI=1S/C35H64O4Si2/c1-25(24-37-26(2)36)31-18-19-32-28(15-14-20-35(31,32)9)17-16-27-21-29(38-40(10,11)33(3,4)5)23-30(22-27)39-41(12,13)34(6,7)8/h16-17,25,29-32H,14-15,18-24H2,1-13H3/b28-17+/t25-,29-,30-,31?,32+,35-/m1/s1
InChIKey YCHUKEHZMIJRQC-XZANKUESSA-N
Molecular Weight 605.063 g/mol
SMILES [C@]12([C@](\C(=C\C=C3C[C@@](O[Si](C(C)(C)C)(C)C)(C[C@](O[Si](C(C)(C)C)(C)C)(C3)[H])[H])CCC1)(CCC2[C@@](COC(=O)C)(C)[H])[H])C
SPLASH splash10-004i-9000102000-cf071be8ec089e684095
Source of Spectrum AT-33-2940-9
Wiley ID 836265