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DIHYDROVITAMIN K1, CYCLIC BIPHOSPHATE
SpectraBase Compound ID JmcIKaDEIdC
InChI InChI=1S/C62H96O14P4/c1-43(2)23-17-25-45(5)27-19-29-47(7)31-21-33-49(9)39-41-53-51(11)59-55-35-13-15-37-57(55)61(53)73-79(67,68)75-78(65,66)72-60-52(12)54(62(58-38-16-14-36-56(58)60)74-80(69,70)76-77(63,64)71-59)42-40-50(10)34-22-32-48(8)30-20-28-46(6)26-18-24-44(3)4/h13-16,35-40,43-48H,17-34,41-42H2,1-12H3,(H,63,64)(H,65,66)(H,67,68)(H,69,70)/b49-39+,50-40+
InChIKey FWFXRTXUFJGPKW-XZRFTTNYSA-N
Mol Weight 1189.3 g/mol
Molecular Formula C62H96O14P4
Exact Mass 1188.575056 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 63PS9SsQunA
Name DIHYDROVITAMIN K1, CYCLIC BIPHOSPHATE
Comments , CDCL3:CD4O=1:1, SCALE INVERTED!
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C62H96O14P4
InChI InChI=1S/C62H96O14P4/c1-43(2)23-17-25-45(5)27-19-29-47(7)31-21-33-49(9)39-41-53-51(11)59-55-35-13-15-37-57(55)61(53)73-79(67,68)75-78(65,66)72-60-52(12)54(62(58-38-16-14-36-56(58)60)74-80(69,70)76-77(63,64)71-59)42-40-50(10)34-22-32-48(8)30-20-28-46(6)26-18-24-44(3)4/h13-16,35-40,43-48H,17-34,41-42H2,1-12H3,(H,63,64)(H,65,66)(H,67,68)(H,69,70)/b49-39+,50-40+
InChIKey FWFXRTXUFJGPKW-XZRFTTNYSA-N
Instrument Name Bruker WP-60
Literature Reference E.E.ZHUKOVA, E.I.ZAKHAROVA, I.K.SARYCHEVA, R.P.EVSTIGNEEVA (1988)Bioorganich.Khim.(Russ. Lang.): v.14, N5, 681-688.
NMR Standard -H3PO4 85%
Observed nucleus 31P
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3/CD4O