Spektraris NMR
Gentirigeoside B
Common Name: Gentirigeoside B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C42H70O17/c1-37(2)33(52)21(46)15-42(59-37,36(53)54)20-9-13-40(5)19(20)7-8-25-38(3)12-11-26(39(4,18-45)24(38)10-14-41(25,40)6)57-35-32(30(50)28(48)23(17-44)56-35)58-34-31(51)29(49)27(47)22(16-43)55-34/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=KNUUVFFIXUPTJZ-NHCLQTPTSA-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) | 39.2 |
| 2 (CH2) | 26.9 |
| 3 (CH) | 90.8 |
| 4 (C) | 43.9 |
| 5 (CH) | 56.7 |
| 6 (CH2) | 18.6 |
| 7 (CH2) | 35.8 |
| 8 (C) | 40.6 |
| 9 (CH) | 51 |
| 10 (C) | 36.7 |
| 11 (CH2) | 28.1 |
| 12 (CH2) | 22.1 |
| 13 (CH) | 44.8 |
| 14 (C) | 50.2 |
| 15 (CH2) | 31.8 |
| 16 (CH2) | 26 |
| 17 (CH) | 45.8 |
| 18 (CH3) | 16.3 |
| 19 (CH3) | 16.4 |
| 20 (C) | 81.3 |
| 21 (C) | 178.7 |
| 22 (CH2) | 33.2 |
| 23 (CH) | 77.5 |
| 24 (CH) | 79.7 |
| 25 (C) | 71.9 |
| 26 (CH3) | 27.8 |
| 27 (CH3) | 27.2 |
| 28 (CH3) | 22.7 |
| 29 (CH2) | 63.5 |
| 30 (CH3) | 15.5 |
| 1' (CH) | 104.6 |
| 2' (CH) | 82.4 |
| 3' (CH) | 78.7 |
| 4' (CH) | 71.3 |
| 5' (CH) | 78.4 |
| 6' (CH2) | 61.7 |
| 1'' (CH) | 105.1 |
| 2'' (CH) | 75.9 |
| 3'' (CH) | 79 |
| 4'' (CH) | 70.1 |
| 5'' (CH) | 78.4 |
| 6'' (CH2) | 62.8 |
