Spektraris NMR
Grayanoside D
Common Name: Grayanoside D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H42O9/c1-12-14-7-17(34-21-20(31)19(30)18(29)15(10-27)33-21)22(2,3)26(14)16(28)9-24-8-13(23(4,32)11-24)5-6-25(12,24)35-26/h12-21,27-32H,5-11H2,1-4H3/t12-,13-,14+,15-,16-,17+,18-,19+,20-,21+,23-,24-,25-,26+/m1/s1
InChIKey: InChIKey=KAJCSJKPPLRWPG-ZBUAFCPFSA-N
Formula: C26H42O9
Molecular Weight: 498.607289
Exact Mass: 498.282883
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Wang, L.Q., Chen, S.N., Qin, G.W., Cheng, K.F. J Nat Prod (1998) 61, 1473-5
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Grayananes; 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 (CH) | 48 |
| 2 (CH2) | 31.7 |
| 3 (CH) | 91.1 |
| 4 (C) | 47.8 |
| 5 (C) | 93.4 |
| 6 (CH) | 69.6 |
| 7 (CH2) | 31.7 |
| 8 (C) | 46.7 |
| 9 (C) | 89 |
| 10 (CH) | 36.4 |
| 11 (CH2) | 25.8 |
| 12 (CH2) | 25.8 |
| 13 (CH) | 46.2 |
| 14 (CH2) | 40.6 |
| 15 (CH2) | 51.9 |
| 16 (C) | 79.9 |
| 17 (CH3) | 24.3 |
| 18 (CH3) | 24.8 |
| 19 (CH3) | 19.8 |
| 20 (CH3) | 14.3 |
| 3a (CH) | 105.8 |
| 3b (CH) | 75.8 |
| 3c (CH) | 78.1 |
| 3d (CH) | 71.9 |
| 3e (CH) | 78.1 |
| 3f (CH2) | 63 |
