| SpectraBase Compound ID | CMuveRTLRVe |
|---|---|
| InChI | InChI=1S/C49H61O5PS3/c1-28(50)48-42(53-48)26-40-36-14-8-30-24-34(16-20-44(30,3)38(36)18-22-46(40,48)5)57-55(56,33-12-10-32(52-7)11-13-33)58-35-17-21-45(4)31(25-35)9-15-37-39(45)19-23-47(6)41(37)27-43-49(47,54-43)29(2)51/h8-13,24-25,36-43H,14-23,26-27H2,1-7H3/t36-,37-,38+,39+,40+,41+,42-,43-,44+,45+,46+,47+,48-,49-/m1/s1 |
| InChIKey | CYOSJZMKBJUODX-OFGRPCHMSA-N |
| Mol Weight | 857.2 g/mol |
| Molecular Formula | C49H61O5PS3 |
| Exact Mass | 856.341876 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 80isf166l0P |
|---|---|
| Name | CYOSJZMKBJUODX-OFGRPCHMSA-N |
| Compound Number | 6E |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H61O5PS3 |
| InChI | InChI=1S/C49H61O5PS3/c1-28(50)48-42(53-48)26-40-36-14-8-30-24-34(16-20-44(30,3)38(36)18-22-46(40,48)5)57-55(56,33-12-10-32(52-7)11-13-33)58-35-17-21-45(4)31(25-35)9-15-37-39(45)19-23-47(6)41(37)27-43-49(47,54-43)29(2)51/h8-13,24-25,36-43H,14-23,26-27H2,1-7H3/t36-,37-,38+,39+,40+,41+,42-,43-,44+,45+,46+,47+,48-,49-/m1/s1 |
| InChIKey | CYOSJZMKBJUODX-OFGRPCHMSA-N |
| Literature Reference Author | N.M.KRSTIC,M.S.BJELAKOVIC,M.M.DABOVIC,V.D.PAVLOVIC |
| Literature Reference Citation | MOLECULES,15,3462(2010) |
| Literature Reference DOI | 10.3390/molecules15053462 |
| Molecular Weight | 857.174 g/mol |
| Sample ID | 70919 |
| Solvent | CDCl3 |