![PENTANDROSIDE-B;(22S,25S)-16-BETA,22,26-TRIHYDROXY-CHOLEST-4-EN-3-ONE-16-O-[6-O-ACETYL-BETA-D-GLUCOPYRANOSYL-(1->3)-BETA-D-XYLOPYRANOSIDE]](/api/spectrum/KSENo5gaopM/structure.png?h=300&w=458 "PENTANDROSIDE-B;(22S,25S)-16-BETA,22,26-TRIHYDROXY-CHOLEST-4-EN-3-ONE-16-O-[6-O-ACETYL-BETA-D-GLUCOPYRANOSYL-(1->3)-BETA-D-XYLOPYRANOSIDE]")
| SpectraBase Compound ID | AHuYUrAi8DH |
|---|---|
| InChI | InChI=1S/C40H64O14/c1-19(16-41)6-9-27(44)20(2)31-29(15-26-24-8-7-22-14-23(43)10-12-39(22,4)25(24)11-13-40(26,31)5)52-37-35(49)36(28(45)17-51-37)54-38-34(48)33(47)32(46)30(53-38)18-50-21(3)42/h14,19-20,24-38,41,44-49H,6-13,15-18H2,1-5H3/t19-,20-,24-,25+,26+,27-,28-,29+,30-,31+,32-,33+,34-,35-,36+,37+,38+,39+,40+/m1/s1 |
| InChIKey | KBJHGNFQMOKBNM-NLISPQMQSA-N |
| Mol Weight | 768.9 g/mol |
| Molecular Formula | C40H64O14 |
| Exact Mass | 768.429607 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 | KSENo5gaopM |
|---|---|
| Name | PENTANDROSIDE-B;(22S,25S)-16-BETA,22,26-TRIHYDROXY-CHOLEST-4-EN-3-ONE-16-O-[6-O-ACETYL-BETA-D-GLUCOPYRANOSYL-(1->3)-BETA-D-XYLOPYRANOSIDE] |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H64O14 |
| InChI | InChI=1S/C40H64O14/c1-19(16-41)6-9-27(44)20(2)31-29(15-26-24-8-7-22-14-23(43)10-12-39(22,4)25(24)11-13-40(26,31)5)52-37-35(49)36(28(45)17-51-37)54-38-34(48)33(47)32(46)30(53-38)18-50-21(3)42/h14,19-20,24-38,41,44-49H,6-13,15-18H2,1-5H3/t19-,20-,24-,25+,26+,27-,28-,29+,30-,31+,32-,33+,34-,35-,36+,37+,38+,39+,40+/m1/s1 |
| InChIKey | KBJHGNFQMOKBNM-NLISPQMQSA-N |
| Literature Reference Author | A.I.HAMED,W.OLESZEK,A.STOCHMAL,C.PIZZA,S.PIACENTE |
| Literature Reference Citation | PHYTOCHEM.,65,2935(2004) |
| Literature Reference DOI | 10.1016/j.phytochem.2004.07.003 |
| Molecular Weight | 768.940 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVN30088 |