Spektraris NMR
Withanoside VII
Common Name: Withanoside VII
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C40H62O15/c1-16-10-25(53-36(50)17(16)2)18(3)21-6-7-22-29-23(8-9-39(21,22)4)40(5)19(12-24(29)42)11-20(13-28(40)43)52-38-35(49)33(47)31(45)27(55-38)15-51-37-34(48)32(46)30(44)26(14-41)54-37/h12,18,20-35,37-38,41-49H,6-11,13-15H2,1-5H3/t18-,20+,21+,22-,23-,24+,25+,26+,27+,28-,29-,30+,31+,32-,33-,34+,35+,37+,38+,39+,40-/m0/s1
InChIKey: InChIKey=ZYUUDMNYEWKQSN-VSYHLBNMSA-N
Formula: C40H62O15
Molecular Weight: 782.912837
Exact Mass: 782.408871
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Matsuda, H., Murakami, T., Kishi, A., Yoshikawa, M. Bioorg Med Chem (2001) 9, 1499
Species:
Notes: Family : Steroids, Type : Ergostanes, Group : Withanolides; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (CH) | 72.5 |
| 2 (CH2) | 37.8 |
| 3 (CH) | 73.7 |
| 4 (CH2) | 39.5 |
| 5 (C) | 143 |
| 6 (CH) | 127.9 |
| 7 (CH) | 64.8 |
| 8 (CH) | 38.2 |
| 9 (CH) | 34.1 |
| 10 (C) | 42.7 |
| 11 (CH2) | 20.4 |
| 12 (CH2) | 38.9 |
| 13 (C) | 42.9 |
| 14 (CH) | 49.8 |
| 15 (CH2) | 27.6 |
| 16 (CH2) | 24.7 |
| 17 (CH) | 52.4 |
| 18 (CH3) | 11.8 |
| 19 (CH3) | 18.3 |
| 20 (CH) | 39.4 |
| 21 (CH3) | 13.6 |
| 22 (CH) | 78.6 |
| 23 (CH2) | 29.6 |
| 24 (C) | 149.7 |
| 25 (C) | 121.9 |
| 26 (C) | 166.6 |
| 27 (CH3) | 12.7 |
| 28 (CH3) | 20.2 |
| 1' (CH) | 102.9 |
| 2' (CH) | 75.2 |
| 3' (CH) | 78.3 |
| 4' (CH) | 71.7 |
| 5' (CH) | 76.8 |
| 6' (CH2) | 70.2 |
| 1'' (CH) | 105.3 |
| 2'' (CH) | 75.2 |
| 3'' (CH) | 78.1 |
| 4'' (CH) | 71.8 |
| 5'' (CH) | 78.4 |
| 6'' (CH2) | 62.7 |
