| SpectraBase Compound ID | 6XPQhWniy6Q |
|---|---|
| InChI | InChI=1S/C62H98O15P4/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)73-78(63,64)65)75-80(69,70)77-81(71,72)76-60-52(12)54(62(74-79(66,67)68)58-38-16-14-36-56(58)60)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,69,70)(H,71,72)(H2,63,64,65)(H2,66,67,68)/b49-39+,50-40+ |
| InChIKey | ANPSVOTVSUIJPN-XZRFTTNYSA-N |
| Mol Weight | 1207.3 g/mol |
| Molecular Formula | C62H98O15P4 |
| Exact Mass | 1206.58562 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7Ablw2IAy6a |
|---|---|
| Name | DIHYDROVITAMIN K1, SYMMETRICAL PYROPHOSPHATE |
| Comments | , CDCL3:CD4O=1:1, SCALE INVERTED! |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C62H98O15P4 |
| InChI | InChI=1S/C62H98O15P4/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)73-78(63,64)65)75-80(69,70)77-81(71,72)76-60-52(12)54(62(74-79(66,67)68)58-38-16-14-36-56(58)60)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,69,70)(H,71,72)(H2,63,64,65)(H2,66,67,68)/b49-39+,50-40+ |
| InChIKey | ANPSVOTVSUIJPN-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 |