| SpectraBase Compound ID | 5oByrLXEzF1 |
|---|---|
| InChI | InChI=1S/C31H40O16/c1-13-28(46-21(35)6-4-14-3-5-18(41-2)17(34)9-14)25(38)27(40)30(43-13)44-19-10-15(11-32)22-16(19)7-8-42-29(22)47-31-26(39)24(37)23(36)20(12-33)45-31/h3-10,13,16,19-20,22-34,36-40H,11-12H2,1-2H3/b6-4+/t13-,16?,19+,20-,22?,23-,24+,25-,26-,27+,28-,29-,30-,31+/m0/s1 |
| InChIKey | NGNMVXFBFBZQAG-WIJATTJGSA-N |
| Mol Weight | 668.6 g/mol |
| Molecular Formula | C31H40O16 |
| Exact Mass | 668.231635 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 | 5s6hi6vwnDK |
|---|---|
| Name | SCROPHEANOSID-I |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H40O16 |
| InChI | InChI=1S/C31H40O16/c1-13-28(46-21(35)6-4-14-3-5-18(41-2)17(34)9-14)25(38)27(40)30(43-13)44-19-10-15(11-32)22-16(19)7-8-42-29(22)47-31-26(39)24(37)23(36)20(12-33)45-31/h3-10,13,16,19-20,22-34,36-40H,11-12H2,1-2H3/b6-4+/t13-,16?,19+,20-,22?,23-,24+,25-,26-,27+,28-,29-,30-,31+/m0/s1 |
| InChIKey | NGNMVXFBFBZQAG-WIJATTJGSA-N |
| Literature Reference Author | P.PACHALY,K.S.SIN,J.BARION |
| Literature Reference Citation | PLANTA.MED.,57,A-87(1991) |
| Molecular Weight | 668.649 g/mol |
| Solvent | CD3OD |
| Source File Reference | UIAP259 |