| SpectraBase Compound ID | 1kk0c0MOAwr |
|---|---|
| InChI | InChI=1S/2C48H87N2O8P/c2*1-37(2)12-10-13-40(7)44-16-17-45-43-15-14-41-36-42(18-20-47(41,8)46(43)19-21-48(44,45)9)56-34-32-54-30-28-52-26-24-51-25-27-53-29-31-55-33-35-58-59(57-23-11-22-49)50(38(3)4)39(5)6/h2*14,37-40,42-46H,10-13,15-21,23-36H2,1-9H3/t2*40-,42+,43+,44-,45+,46+,47+,48-,59?/m11/s1 |
| InChIKey | WOLWBOZBZRCPTQ-ZGTMWBDISA-N |
| Mol Weight | 1702.4 g/mol |
| Molecular Formula | C96H174N4O16P2 |
| Exact Mass | 1701.24001 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HRDhcgbqZQv |
|---|---|
| Name | WOLWBOZBZRCPTQ-ZGTMWBDISA-N |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C96H174N4O16P2 |
| InChI | InChI=1S/2C48H87N2O8P/c2*1-37(2)12-10-13-40(7)44-16-17-45-43-15-14-41-36-42(18-20-47(41,8)46(43)19-21-48(44,45)9)56-34-32-54-30-28-52-26-24-51-25-27-53-29-31-55-33-35-58-59(57-23-11-22-49)50(38(3)4)39(5)6/h2*14,37-40,42-46H,10-13,15-21,23-36H2,1-9H3/t2*40-,42+,43+,44-,45+,46+,47+,48-,59?/m11/s1 |
| InChIKey | WOLWBOZBZRCPTQ-ZGTMWBDISA-N |
| Literature Reference Author | D.MUSUMECI,D.MONTESARCHIO |
| Literature Reference Citation | MOLECULES,17,12378(2012) |
| Literature Reference DOI | 10.3390/molecules171012378 |
| Molecular Weight | 1702.402 g/mol |
| Sample ID | 1587 |
| Solvent | CDCl3 |