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9,10-SECO-4,6,10(19)-CHOLESTRIEN-3S,8R,25-TRIOL;(VITAMIN-D-DERIVATIVE)
SpectraBase Compound ID 4fOZKJNq1L5
InChI InChI=1S/C27H44O3/c1-19-9-10-22(28)18-21(19)13-17-27(30)16-7-15-26(5)23(11-12-24(26)27)20(2)8-6-14-25(3,4)29/h13,17-18,20,22-24,28-30H,1,6-12,14-16H2,2-5H3/b17-13+/t20-,22+,23-,24?,26-,27+/m1/s1
InChIKey HEEYZOXIDNUWPF-KSRXVJDNSA-N
Mol Weight 416.6 g/mol
Molecular Formula C27H44O3
Exact Mass 416.329045 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Aoclxw7AVR5
Name 9,10-SECO-4,6,10(19)-CHOLESTRIEN-3S,8R,25-TRIOL;(VITAMIN-D-DERIVATIVE)
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H44O3
InChI InChI=1S/C27H44O3/c1-19-9-10-22(28)18-21(19)13-17-27(30)16-7-15-26(5)23(11-12-24(26)27)20(2)8-6-14-25(3,4)29/h13,17-18,20,22-24,28-30H,1,6-12,14-16H2,2-5H3/b17-13+/t20-,22+,23-,24?,26-,27+/m1/s1
InChIKey HEEYZOXIDNUWPF-KSRXVJDNSA-N
Literature Reference Author W.REISCHL
Literature Reference Citation MH.CHEM.,120,1185(1989)
Literature Reference DOI 10.1007/BF00809302
Molecular Weight 416.645 g/mol
Solvent Unknown
Source File Reference UWWR5028