| SpectraBase Compound ID | 7ioEdjqK0X6 |
|---|---|
| InChI | InChI=1S/C33H38O18/c1-44-16-7-12(4-5-15(16)36)20-21-13(8-17(45-2)24(38)28(21)46-3)6-14-22(20)31(43)49-29-25(39)19(10-47-30(14)42)50-33(29,11-35)51-32-27(41)26(40)23(37)18(9-34)48-32/h4-8,18-20,22-23,25-27,29,32,34-41H,9-11H2,1-3H3/t18-,19-,20-,22+,23-,25-,26+,27-,29+,32-,33+/m1/s1 |
| InChIKey | VZLIQNLXUYMNAA-HWWKUVKWSA-N |
| Mol Weight | 722.6 g/mol |
| Molecular Formula | C33H38O18 |
| Exact Mass | 722.205814 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 | BoceJvK9msI |
|---|---|
| Name | TRIGONOTIN_C |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H38O18 |
| InChI | InChI=1S/C33H38O18/c1-44-16-7-12(4-5-15(16)36)20-21-13(8-17(45-2)24(38)28(21)46-3)6-14-22(20)31(43)49-29-25(39)19(10-47-30(14)42)50-33(29,11-35)51-32-27(41)26(40)23(37)18(9-34)48-32/h4-8,18-20,22-23,25-27,29,32,34-41H,9-11H2,1-3H3/t18-,19-,20-,22+,23-,25-,26+,27-,29+,32-,33+/m1/s1 |
| InChIKey | VZLIQNLXUYMNAA-HWWKUVKWSA-N |
| Literature Reference Author | H.OTSUKA,H.KUWABARA,H.HOSHIYAMA |
| Literature Reference Citation | J.NAT.PROD.,71,1178(2008) |
| Literature Reference DOI | 10.1021/np800071r |
| Molecular Weight | 722.654 g/mol |
| Sample ID | 28642 |
| Solvent | CD3OD |