Spektraris NMR
Gentirigeoside A
Common Name: Gentirigeoside A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C36H60O12/c1-31(2)28(43)20(39)15-36(48-31,30(44)45)19-9-13-34(5)18(19)7-8-23-32(3)12-11-24(33(4,17-38)22(32)10-14-35(23,34)6)47-29-27(42)26(41)25(40)21(16-37)46-29/h18-29,37-43H,7-17H2,1-6H3,(H,44,45)/t18-,19+,20+,21-,22-,23-,24+,25-,26+,27-,28+,29+,32+,33-,34-,35-,36+/m1/s1
InChIKey: InChIKey=XPJOLTRXAYBSEB-KMWDMBMQSA-N
Formula: C36H60O12
Molecular Weight: 684.855797
Exact Mass: 684.408477
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) | 39.6 |
| 2 (CH2) | 27 |
| 3 (CH) | 89 |
| 4 (C) | 44.6 |
| 5 (CH) | 56 |
| 6 (CH2) | 18.8 |
| 7 (CH2) | 36 |
| 8 (C) | 39.3 |
| 9 (CH) | 51.2 |
| 10 (C) | 36.8 |
| 11 (CH2) | 28.1 |
| 12 (CH2) | 22.1 |
| 13 (CH) | 44.8 |
| 14 (C) | 50.2 |
| 15 (CH2) | 31.7 |
| 16 (CH2) | 26 |
| 17 (CH) | 45.8 |
| 18 (CH3) | 15.5 |
| 19 (CH3) | 16.2 |
| 20 (C) | 81.1 |
| 21 (C) | 178.6 |
| 22 (CH2) | 33.2 |
| 23 (CH) | 77.4 |
| 24 (CH) | 79.6 |
| 25 (C) | 72 |
| 26 (CH3) | 27.7 |
| 27 (CH3) | 27.2 |
| 28 (CH3) | 22.1 |
| 29 (CH2) | 63.4 |
| 30 (CH3) | 18 |
| 1' (CH) | 106.3 |
| 2' (CH) | 75.7 |
| 3' (CH) | 78.8 |
| 4' (CH) | 71.9 |
| 5' (CH) | 78.7 |
| 6' (CH2) | 63.1 |
