Spektraris NMR
Gynoside A
Common Name: Gynoside A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C41H70O13/c1-36(2)24-10-15-39(6)25(17-21(43)28-20(9-14-40(28,39)7)41(8)16-12-27(54-41)37(3,4)49)38(24,5)13-11-26(36)52-35-33(29(45)22(44)19-50-35)53-34-32(48)31(47)30(46)23(18-42)51-34/h20-35,42-49H,9-19H2,1-8H3/t20-,21+,22+,23+,24-,25+,26-,27-,28-,29-,30+,31-,32+,33+,34-,35-,38-,39+,40+,41-/m0/s1
InChIKey: InChIKey=QAKYPUDKYKSDPU-PVMVRJIDSA-N
Formula: C41H70O13
Molecular Weight: 770.988289
Exact Mass: 770.481642
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) | 39.8 |
| 2 (CH2) | 27.2 |
| 3 (CH) | 89.4 |
| 4 (C) | 40.2 |
| 5 (CH) | 57 |
| 6 (CH2) | 19 |
| 7 (CH2) | 35.6 |
| 8 (C) | 40.5 |
| 9 (CH) | 51.1 |
| 10 (C) | 37.5 |
| 11 (CH2) | 32.8 |
| 12 (CH) | 71.2 |
| 13 (CH) | 49.7 |
| 14 (C) | 52.7 |
| 15 (CH2) | 33 |
| 16 (CH2) | 29.1 |
| 17 (CH) | 49.9 |
| 18 (CH3) | 16.1 |
| 19 (CH3) | 17.1 |
| 20 (C) | 87.6 |
| 21 (CH3) | 29.4 |
| 22 (CH2) | 32.6 |
| 23 (CH2) | 26.3 |
| 24 (CH) | 88.8 |
| 25 (C) | 70.8 |
| 26 (CH3) | 27.2 |
| 27 (CH3) | 26.9 |
| 28 (CH3) | 28.5 |
| 29 (CH3) | 16.9 |
| 30 (CH3) | 18.5 |
| 1' (CH) | 105.9 |
| 2' (CH) | 82.9 |
| 3' (CH) | 78.3 |
| 4' (CH) | 71.3 |
| 5' (CH2) | 67 |
| 1'' (CH) | 106 |
| 2'' (CH) | 77.1 |
| 3'' (CH) | 78.3 |
| 4'' (CH) | 72 |
| 5'' (CH) | 78.6 |
| 6'' (CH2) | 63 |
