| SpectraBase Compound ID | 63G8hXDyNNT |
|---|---|
| InChI | InChI=1S/C49H65O3PS3/c1-30(50)40-16-18-42-38-14-8-32-28-36(20-24-46(32,3)44(38)22-26-48(40,42)5)55-53(54,35-12-10-34(52-7)11-13-35)56-37-21-25-47(4)33(29-37)9-15-39-43-19-17-41(31(2)51)49(43,6)27-23-45(39)47/h8-13,28-29,38-45H,14-27H2,1-7H3/t38-,39-,40+,41+,42-,43-,44-,45-,46-,47-,48+,49+/m0/s1 |
| InChIKey | YKHYRJOFUAKKJR-JGPDFDGGSA-N |
| Mol Weight | 829.2 g/mol |
| Molecular Formula | C49H65O3PS3 |
| Exact Mass | 828.383346 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ADIlP57ZPWt |
|---|---|
| Name | YKHYRJOFUAKKJR-JGPDFDGGSA-N |
| Compound Number | 6D |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H65O3PS3 |
| InChI | InChI=1S/C49H65O3PS3/c1-30(50)40-16-18-42-38-14-8-32-28-36(20-24-46(32,3)44(38)22-26-48(40,42)5)55-53(54,35-12-10-34(52-7)11-13-35)56-37-21-25-47(4)33(29-37)9-15-39-43-19-17-41(31(2)51)49(43,6)27-23-45(39)47/h8-13,28-29,38-45H,14-27H2,1-7H3/t38-,39-,40+,41+,42-,43-,44-,45-,46-,47-,48+,49+/m0/s1 |
| InChIKey | YKHYRJOFUAKKJR-JGPDFDGGSA-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 | 829.207 g/mol |
| Sample ID | 70915 |
| Solvent | CDCl3 |