Spektraris NMR
Gentirigeoside E
Common Name: Gentirigeoside E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C42H70O16/c1-37(2)24-11-15-41(7)25(9-8-19-20(10-14-40(19,41)6)42(36(52)53)16-21(45)33(51)38(3,4)58-42)39(24,5)13-12-26(37)56-35-32(30(49)28(47)23(18-44)55-35)57-34-31(50)29(48)27(46)22(17-43)54-34/h19-35,43-51H,8-18H2,1-7H3,(H,52,53)/t19-,20+,21+,22-,23-,24+,25-,26+,27-,28-,29+,30+,31-,32-,33+,34+,35+,39+,40-,41-,42+/m1/s1
InChIKey: InChIKey=VRJXPIOFTJEYMJ-BQFHCAHQSA-N
Formula: C42H70O16
Molecular Weight: 830.997239
Exact Mass: 830.466386
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Xu, M., Wang, D., Zhang, Y.J., Yang, C.R. J Nat Prod (2007) 70, 880-3
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) | 26.9 |
| 3 (CH) | 89.1 |
| 4 (C) | 43.9 |
| 5 (CH) | 56.7 |
| 6 (CH2) | 18.8 |
| 7 (CH2) | 36.7 |
| 8 (C) | 40.6 |
| 9 (CH) | 51.2 |
| 10 (C) | 36.3 |
| 11 (CH2) | 32.2 |
| 12 (CH2) | 22.1 |
| 13 (CH) | 44.7 |
| 14 (C) | 50.5 |
| 15 (CH2) | 32.2 |
| 16 (CH2) | 26 |
| 17 (CH) | 45.8 |
| 18 (CH3) | 16.5 |
| 19 (CH3) | 16.7 |
| 20 (C) | 81 |
| 21 (C) | 178.6 |
| 22 (CH2) | 33.9 |
| 23 (CH) | 77.5 |
| 24 (CH) | 79.6 |
| 25 (C) | 71.9 |
| 26 (CH3) | 28.1 |
| 27 (CH3) | 27.7 |
| 28 (CH3) | 27.2 |
| 29 (CH3) | 16.3 |
| 30 (CH3) | 15.7 |
| 1' (CH) | 105.1 |
| 2' (CH) | 83.4 |
| 3' (CH) | 78.4 |
| 4' (CH) | 71.8 |
| 5' (CH) | 78.1 |
| 6' (CH2) | 62.9 |
| 1'' (CH) | 106.1 |
| 2'' (CH) | 77.1 |
| 3'' (CH) | 78.6 |
| 4'' (CH) | 71.8 |
| 5'' (CH) | 78.1 |
| 6'' (CH2) | 62.9 |
