| SpectraBase Compound ID | BAqpojauNWM |
|---|---|
| InChI | InChI=1S/C54H68O6/c1-52-19-16-29-32(42(52)10-13-47(52)57)6-4-27-22-45(55)39(24-36(27)29)40-26-38-31-18-21-54(3)44(12-15-49(54)59)34(31)8-9-35(38)50(51(40)60)41-25-37-28(23-46(41)56)5-7-33-30(37)17-20-53(2)43(33)11-14-48(53)58/h22-26,29-34,42-44,47-49,55-60H,4-21H2,1-3H3/t29-,30-,31+,32+,33+,34-,42-,43-,44+,47-,48-,49+,52-,53-,54+/m1/s1 |
| InChIKey | RGHVYOTYUOBOCZ-OAIZJQELSA-N |
| Mol Weight | 813.1 g/mol |
| Molecular Formula | C54H68O6 |
| Exact Mass | 812.50159 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 1YGp6YlzRL3 |
|---|---|
| Name | RGHVYOTYUOBOCZ-OAIZJQELSA-N |
| Compound Number | 8B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H68O6 |
| InChI | InChI=1S/C54H68O6/c1-52-19-16-29-32(42(52)10-13-47(52)57)6-4-27-22-45(55)39(24-36(27)29)40-26-38-31-18-21-54(3)44(12-15-49(54)59)34(31)8-9-35(38)50(51(40)60)41-25-37-28(23-46(41)56)5-7-33-30(37)17-20-53(2)43(33)11-14-48(53)58/h22-26,29-34,42-44,47-49,55-60H,4-21H2,1-3H3/t29-,30-,31+,32+,33+,34-,42-,43-,44+,47-,48-,49+,52-,53-,54+/m1/s1 |
| InChIKey | RGHVYOTYUOBOCZ-OAIZJQELSA-N |
| Literature Reference Author | A.PEZZELLA,L.LISTA,A.NAPOLITANO,M.DISCHIA |
| Literature Reference Citation | J.ORG.CHEM.,69,5652(2004) |
| Literature Reference DOI | 10.1021/jo0492665 |
| Molecular Weight | 813.130 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN22307 |