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(1R,4S)-(7E)-1,4-DIHYDROXY-A-HOMO-19-NOR-9,10-SECO-CHOLESTA-5,7-DIENE;(VITAMIN-D-DERIVATIVE)
SpectraBase Compound ID BZDt42CdjUq
InChI InChI=1S/C27H46O2/c1-19(2)7-5-8-20(3)25-14-15-26-22(9-6-16-27(25,26)4)11-10-21-17-23(28)12-13-24(29)18-21/h10-11,19-20,23-26,28-29H,5-9,12-18H2,1-4H3/b21-10-,22-11+/t20-,23+,24-,25-,26?,27-/m1/s1
InChIKey YMBNJMCCFCSRBU-KUZMBOEJSA-N
Mol Weight 402.7 g/mol
Molecular Formula C27H46O2
Exact Mass 402.349781 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KCgM2AW5Wfi
Name (1R,4S)-(7E)-1,4-DIHYDROXY-A-HOMO-19-NOR-9,10-SECO-CHOLESTA-5,7-DIENE;(VITAMIN-D-DERIVATIVE)
CAS Registry Number 75946-87-1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H46O2
InChI InChI=1S/C27H46O2/c1-19(2)7-5-8-20(3)25-14-15-26-22(9-6-16-27(25,26)4)11-10-21-17-23(28)12-13-24(29)18-21/h10-11,19-20,23-26,28-29H,5-9,12-18H2,1-4H3/b21-10-,22-11+/t20-,23+,24-,25-,26?,27-/m1/s1
InChIKey YMBNJMCCFCSRBU-KUZMBOEJSA-N
Literature Reference Author J.M.GERDES,A.W.NORMAN,W.H.OKAMURA
Literature Reference Citation J.ORG.CHEM.,46,599(1981)
Literature Reference DOI 10.1021/jo00316a022
Molecular Weight 402.661 g/mol
Solvent CDCl3
Source File Reference UWWR5013