| SpectraBase Compound ID | JyQBLE7VIpy |
|---|---|
| InChI | InChI=1S/C39H52O25/c1-11-3-12-4-13-5-14(55-2)6-15(20(13)26(46)21(12)35(54)58-11)59-38-31(51)28(48)23(43)18(62-38)10-57-37-33(53)34(25(45)17(8-41)61-37)64-39-32(52)29(49)24(44)19(63-39)9-56-36-30(50)27(47)22(42)16(7-40)60-36/h3-6,16-19,22-25,27-34,36-53H,7-10H2,1-2H3/t16-,17-,18-,19-,22-,23-,24-,25-,27+,28+,29+,30-,31-,32-,33-,34+,36-,37-,38-,39+/m1/s1 |
| InChIKey | VHWFKCUSOFJPLV-XVRRVUIKSA-N |
| Mol Weight | 920.8 g/mol |
| Molecular Formula | C39H52O25 |
| Exact Mass | 920.279767 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 | 3JIenMy3kJu |
|---|---|
| Name | CASSIASIDE-C2;TORALACTONE-9-O-BETA-D-GLUCOPYRANOSYL-(1->6)-O-BETA-D-GLUCOPYRANOSYL-(1->3)-O-BETA-D-GLUCOPYRANOSYL-(1->6)-O-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H52O25 |
| InChI | InChI=1S/C39H52O25/c1-11-3-12-4-13-5-14(55-2)6-15(20(13)26(46)21(12)35(54)58-11)59-38-31(51)28(48)23(43)18(62-38)10-57-37-33(53)34(25(45)17(8-41)61-37)64-39-32(52)29(49)24(44)19(63-39)9-56-36-30(50)27(47)22(42)16(7-40)60-36/h3-6,16-19,22-25,27-34,36-53H,7-10H2,1-2H3/t16-,17-,18-,19-,22-,23-,24-,25-,27+,28+,29+,30-,31-,32-,33-,34+,36-,37-,38-,39+/m1/s1 |
| InChIKey | VHWFKCUSOFJPLV-XVRRVUIKSA-N |
| Literature Reference Author | S.KITANAKA,T.NAKAYAMA,T.SHIBANO,E.OHKOSHI,M.TAKIDO |
| Literature Reference Citation | CHEM.PHARM.BULL.,46,1650(1998) |
| Literature Reference DOI | 10.1248/cpb.46.1650 |
| Molecular Weight | 920.827 g/mol |
| Solvent | DMSO-D6:D2O=19:1 |
| Source File Reference | UWMS20757 |