| SpectraBase Compound ID | CfsMMwk6jt0 |
|---|---|
| InChI | InChI=1S/C42H68O14/c1-20(43)26-13-15-42(47)27-11-10-24-16-25(12-14-40(24,5)28(27)17-31(44)41(26,42)6)54-32-18-29(48-7)36(22(3)51-32)55-33-19-30(49-8)37(23(4)52-33)56-39-35(46)38(50-9)34(45)21(2)53-39/h10,21-23,25-39,44-47H,11-19H2,1-9H3/t21-,22-,23+,25+,26-,27-,28+,29+,30-,31-,32+,33-,34-,35-,36-,37+,38+,39+,40+,41+,42+/m1/s1 |
| InChIKey | YYCTZBHRECJQGA-UIOVMQQQSA-N |
| Mol Weight | 797.0 g/mol |
| Molecular Formula | C42H68O14 |
| Exact Mass | 796.460907 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 | DTpcj8OB6Ai |
|---|---|
| Name | #2;HOODIGOSIDE-X;12-O-BETA,14-BETA-DIHYDROXY-PREGN-5-EN-20-ONE-3-O-BETA-D-THEVETOPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H68O14 |
| InChI | InChI=1S/C42H68O14/c1-20(43)26-13-15-42(47)27-11-10-24-16-25(12-14-40(24,5)28(27)17-31(44)41(26,42)6)54-32-18-29(48-7)36(22(3)51-32)55-33-19-30(49-8)37(23(4)52-33)56-39-35(46)38(50-9)34(45)21(2)53-39/h10,21-23,25-39,44-47H,11-19H2,1-9H3/t21-,22-,23+,25+,26-,27-,28+,29+,30-,31-,32+,33-,34-,35-,36-,37+,38+,39+,40+,41+,42+/m1/s1 |
| InChIKey | YYCTZBHRECJQGA-UIOVMQQQSA-N |
| Literature Reference Author | Y.J.SHUKLA,R.S.PAWAR,Y.DING,X.C.LI,D.FERREIRA,I.A.KHAN |
| Literature Reference Citation | PHYTOCHEM.,70,675(2009) |
| Literature Reference DOI | 10.1016/j.phytochem.2009.02.006 |
| Molecular Weight | 796.994 g/mol |
| Sample ID | 64648 |
| Solvent | CDCl3 |