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1a-Hydroxy-2-methylidene-23,23,24,24-tetradehydro-19,25,26,27-tetranorvitamin D3 1,3-Bis(tert-butyldimethylsilyl)ether
SpectraBase Compound ID D9T7BpaembM
InChI InChI=1S/C36H62O2Si2/c1-15-17-26(2)30-21-22-31-29(18-16-23-36(30,31)10)20-19-28-24-32(37-39(11,12)34(4,5)6)27(3)33(25-28)38-40(13,14)35(7,8)9/h1,19-20,26,30-33H,3,16-18,21-25H2,2,4-14H3/b29-20+/t26-,30-,31+,32-,33-,36-/m1/s1
InChIKey NLWKXUWKEIRSQR-ORZOUKFVSA-N
Mol Weight 583.1 g/mol
Molecular Formula C36H62O2Si2
Exact Mass 582.428834 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4NAywZi9H7H
Name 1a-Hydroxy-2-methylidene-23,23,24,24-tetradehydro-19,25,26,27-tetranorvitamin D3 1,3-Bis(tert-butyldimethylsilyl)ether
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H62O2Si2
InChI InChI=1S/C36H62O2Si2/c1-15-17-26(2)30-21-22-31-29(18-16-23-36(30,31)10)20-19-28-24-32(37-39(11,12)34(4,5)6)27(3)33(25-28)38-40(13,14)35(7,8)9/h1,19-20,26,30-33H,3,16-18,21-25H2,2,4-14H3/b29-20+/t26-,30-,31+,32-,33-,36-/m1/s1
InChIKey NLWKXUWKEIRSQR-ORZOUKFVSA-N
Instrument Name Shimazu GCMS QP-2010 PLUS
Ionization Type EI
Literature Reference DOI 10.1021/jm401989c
Molecular Weight 583.060 g/mol
Reported Formula C36H63O2Si2
SMILES C1[C@](C([C@@](CC1=C\C=C/1CCC[C@]2([C@]1(CC[C@@]2([C@@](CC#C)(C)[H])[H])[H])C)(O[Si](C(C)(C)C)(C)C)[H])=C)(O[Si](C(C)(C)C)(C)C)[H]
SPLASH splash10-0fk9-9012500000-8b9b2f814a96bad64c73
Source of Spectrum AF-57-4082-7b
Wiley ID 1854680