Spektraris NMR
Gentirigeoside C
Common Name: Gentirigeoside C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C42H70O17/c1-37(2)33(52)21(45)15-42(59-37,36(53)54)20-9-13-40(5)19(20)7-8-25-38(3)12-11-26(58-35-32(51)30(49)28(47)23(17-44)57-35)39(4,24(38)10-14-41(25,40)6)18-55-34-31(50)29(48)27(46)22(16-43)56-34/h19-35,43-52H,7-18H2,1-6H3,(H,53,54)/t19-,20+,21+,22-,23-,24-,25-,26+,27-,28-,29+,30+,31-,32-,33+,34-,35+,38+,39-,40-,41-,42+/m1/s1
InChIKey: InChIKey=AQYVSJSIOILIQJ-CUWSSRGUSA-N
Formula: C42H70O17
Molecular Weight: 846.996644
Exact Mass: 846.461301
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) | 39.5 |
| 2 (CH2) | 28.5 |
| 3 (CH) | 83.8 |
| 4 (C) | 42.9 |
| 5 (CH) | 57.2 |
| 6 (CH2) | 18.8 |
| 7 (CH2) | 35.9 |
| 8 (C) | 40.6 |
| 9 (CH) | 51.2 |
| 10 (C) | 37.2 |
| 11 (CH2) | 28.5 |
| 12 (CH2) | 21.9 |
| 13 (CH) | 44.7 |
| 14 (C) | 50 |
| 15 (CH2) | 31.6 |
| 16 (CH2) | 25.9 |
| 17 (CH) | 45.7 |
| 18 (CH3) | 16.3 |
| 19 (CH3) | 16.7 |
| 20 (C) | 81 |
| 21 (C) | 179.2 |
| 22 (CH2) | 33.1 |
| 23 (CH) | 77.4 |
| 24 (CH) | 79.7 |
| 25 (C) | 72.7 |
| 26 (CH3) | 27.8 |
| 27 (CH3) | 27.2 |
| 28 (CH3) | 23.4 |
| 29 (CH2) | 71.8 |
| 30 (CH3) | 15.5 |
| 1' (CH) | 102.3 |
| 2' (CH) | 72.3 |
| 3' (CH) | 78.9 |
| 4' (CH) | 70 |
| 5' (CH) | 77.4 |
| 6' (CH2) | 61.9 |
| 1'' (CH) | 105.4 |
| 2'' (CH) | 76.1 |
| 3'' (CH) | 78.5 |
| 4'' (CH) | 70.9 |
| 5'' (CH) | 78.3 |
| 6'' (CH2) | 62.4 |
