| SpectraBase Compound ID | Jz9RJe2BIv5 |
|---|---|
| InChI | InChI=1S/C45H72O17/c1-19(17-46)7-10-28(48)20(2)31-29(49)16-27-25-9-8-23-15-24(11-13-44(23,5)26(25)12-14-45(27,31)6)59-43-40(62-42-37(55)35(53)33(51)22(4)58-42)38(56)39(30(18-47)60-43)61-41-36(54)34(52)32(50)21(3)57-41/h8,19-22,24-27,30-43,46-47,50-56H,7,9-18H2,1-6H3/t19?,20-,21+,22+,24+,25-,26+,27+,30-,31?,32+,33+,34-,35-,36-,37-,38+,39-,40-,41+,42+,43-,44+,45+/m1/s1 |
| InChIKey | ZOEKRUFFDKDHOI-IRXKQFPOSA-N |
| Mol Weight | 885.1 g/mol |
| Molecular Formula | C45H72O17 |
| Exact Mass | 884.476951 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 | 1xXCDS04nmd |
|---|---|
| Name | KRYPTOGENIN-3-O-BETA-CHACOTRIOSIDE |
| Compound Number | 125 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H72O17 |
| InChI | InChI=1S/C45H72O17/c1-19(17-46)7-10-28(48)20(2)31-29(49)16-27-25-9-8-23-15-24(11-13-44(23,5)26(25)12-14-45(27,31)6)59-43-40(62-42-37(55)35(53)33(51)22(4)58-42)38(56)39(30(18-47)60-43)61-41-36(54)34(52)32(50)21(3)57-41/h8,19-22,24-27,30-43,46-47,50-56H,7,9-18H2,1-6H3/t19?,20-,21+,22+,24+,25-,26+,27+,30-,31?,32+,33+,34-,35-,36-,37-,38+,39-,40-,41+,42+,43-,44+,45+/m1/s1 |
| InChIKey | ZOEKRUFFDKDHOI-IRXKQFPOSA-N |
| Literature Reference Author | P.K.AGRAWAL,D.C.JAIN,A.K.PATHAK |
| Literature Reference Citation | MAGN.RES.CHEM.,33,923(1995) |
| Literature Reference DOI | 10.1002/mrc.1260331202 |
| Molecular Weight | 885.056 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWCS22213 |