| SpectraBase Compound ID | 9vMxLF7B6s9 |
|---|---|
| InChI | InChI=1S/C50H47O5P.Na/c1-2-3-4-5-6-11-16-54-49-45-41-23-43(39-21-35-31-17-29(33(35)19-37(39)41)25-12-7-9-14-27(25)31)47(45)50(55-56(51,52)53)48-44-24-42(46(48)49)38-20-34-30-18-32(36(34)22-40(38)44)28-15-10-8-13-26(28)30;/h7-10,12-15,19-22,29-32,41-44H,2-6,11,16-18,23-24H2,1H3,(H2,51,52,53);/q;+2/p-2/t29-,30+,31+,32-,41-,42+,43+,44-; |
| InChIKey | ZSFSXGVOLQGMIJ-BSMQBWNBSA-L |
| Mol Weight | 779.9 g/mol |
| Molecular Formula | C50H45NaO5P |
| Exact Mass | 779.290231 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7Mw157FHkQr |
|---|---|
| Name | ZSFSXGVOLQGMIJ-BSMQBWNBSA-L |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H45NaO5P |
| InChI | InChI=1S/C50H47O5P.Na/c1-2-3-4-5-6-11-16-54-49-45-41-23-43(39-21-35-31-17-29(33(35)19-37(39)41)25-12-7-9-14-27(25)31)47(45)50(55-56(51,52)53)48-44-24-42(46(48)49)38-20-34-30-18-32(36(34)22-40(38)44)28-15-10-8-13-26(28)30;/h7-10,12-15,19-22,29-32,41-44H,2-6,11,16-18,23-24H2,1H3,(H2,51,52,53);/q;+2/p-2/t29-,30+,31+,32-,41-,42+,43+,44-; |
| InChIKey | ZSFSXGVOLQGMIJ-BSMQBWNBSA-L |
| Literature Reference Author | S.DUTT,C.WILCH,T.GERSTHAGEN,C.WOELPER,A.A.SOWISLOK,F.G.KLAER NER,T.SCHRADER |
| Literature Reference Citation | EUR.J.ORG.CHEM.,2013,7705(2013) |
| Literature Reference DOI | 10.1002/ejoc.201301211 |
| Molecular Weight | 779.868 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWBT20435 |