Spektraris NMR
Gynoside E
Common Name: Gynoside E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C41H68O13/c1-35(2)24-10-14-38(6)25(17-22-27-20(9-13-39(27,38)7)40(8)15-16-41(53-22,54-40)36(3,4)48)37(24,5)12-11-26(35)51-34-32(28(44)21(43)19-49-34)52-33-31(47)30(46)29(45)23(18-42)50-33/h20-34,42-48H,9-19H2,1-8H3/t20-,21+,22+,23+,24-,25+,26-,27-,28-,29+,30-,31+,32+,33-,34-,37-,38+,39+,40+,41+/m0/s1
InChIKey: InChIKey=VHGOSAQLMJSWDC-BUHNUONNSA-N
Formula: C41H68O13
Molecular Weight: 768.972407
Exact Mass: 768.465992
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Liu, X., Ye, W., Mo, Z., Yu, B., Zhao, S., Wu, H., Che, C., Jiang, R., Mak, T.C., Hsiao, W.L. J Nat Prod (2004) 67, 1147-51
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Dammaranes; 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 (CH2) | 39.4 |
| 2 (CH2) | 27.1 |
| 3 (CH) | 88.7 |
| 4 (C) | 40 |
| 5 (CH) | 56.5 |
| 6 (CH2) | 18.7 |
| 7 (CH2) | 35.2 |
| 8 (C) | 40.1 |
| 9 (CH) | 50.2 |
| 10 (C) | 37.3 |
| 11 (CH2) | 30.3 |
| 12 (CH) | 73.9 |
| 13 (CH) | 49 |
| 14 (C) | 49.5 |
| 15 (CH2) | 32.2 |
| 16 (CH2) | 23.7 |
| 17 (CH) | 53.4 |
| 18 (CH3) | 16.4 |
| 19 (CH3) | 16.3 |
| 20 (C) | 88.2 |
| 21 (CH3) | 27.8 |
| 22 (CH2) | 29.9 |
| 23 (CH2) | 36.4 |
| 24 (C) | 113.2 |
| 25 (C) | 74.1 |
| 26 (CH3) | 25.9 |
| 27 (CH3) | 25.4 |
| 28 (CH3) | 28.4 |
| 29 (CH3) | 16.9 |
| 30 (CH3) | 17.8 |
| 1' (CH) | 105.8 |
| 2' (CH) | 83.5 |
| 3' (CH) | 78.1 |
| 4' (CH) | 71.1 |
| 5' (CH2) | 66.8 |
| 1'' (CH) | 106.2 |
| 2'' (CH) | 77.2 |
| 3'' (CH) | 78.1 |
| 4'' (CH) | 71.8 |
| 5'' (CH) | 78.4 |
| 6'' (CH2) | 62.9 |
