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(3.beta.-5Z,7E,24R)-3-[(Tert-butyldimethylsilyl)oxy]-9,10-secocholesta-5,7,10(19)-triene-24,25-diol cyclic 24,25-(1-methylethylidene acetal)

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(3.beta.-5Z,7E,24R)-3-[(Tert-butyldimethylsilyl)oxy]-9,10-secocholesta-5,7,10(19)-triene-24,25-diol cyclic 24,25-(1-methylethylidene acetal)
SpectraBase Compound ID FXncDJwLYjd
InChI InChI=1S/C36H62O3Si/c1-25-15-19-29(38-40(11,12)33(3,4)5)24-28(25)18-17-27-14-13-23-36(10)30(20-21-31(27)36)26(2)16-22-32-34(6,7)39-35(8,9)37-32/h17-18,26,29-32H,1,13-16,19-24H2,2-12H3/b27-17+,28-18-/t26-,29-,30-,31+,32-,36-/m1/s1
InChIKey ALNYDSOIPXLDBY-MDWBKGOKSA-N
Mol Weight 571.0 g/mol
Molecular Formula C36H62O3Si
Exact Mass 570.446822 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HSHXbMi7x4T
Name (3.beta.-5Z,7E,24R)-3-[(Tert-butyldimethylsilyl)oxy]-9,10-secocholesta-5,7,10(19)-triene-24,25-diol cyclic 24,25-(1-methylethylidene acetal)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 570.446822388 u
Formula C36H62O3Si
InChI InChI=1S/C36H62O3Si/c1-25-15-19-29(38-40(11,12)33(3,4)5)24-28(25)18-17-27-14-13-23-36(10)30(20-21-31(27)36)26(2)16-22-32-34(6,7)39-35(8,9)37-32/h17-18,26,29-32H,1,13-16,19-24H2,2-12H3/b27-17+,28-18-/t26-,29-,30-,31+,32-,36-/m1/s1
InChIKey ALNYDSOIPXLDBY-MDWBKGOKSA-N
Molecular Weight 570.974 g/mol
SMILES [C@]12([C@](\C(=C\C=C/3C(CC[C@@](O[Si](C(C)(C)C)(C)C)(C3)[H])=C)CCC1)(CC[C@@]2([C@@](CC[C@]1(OC(C)(C)OC1(C)C)[H])(C)[H])[H])[H])C