Spektraris NMR
(S)-Curcuphenol-1a-D-glucopyranoside
Common Name: (S)-Curcuphenol-1a-D-glucopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H32O6/c1-12(2)6-5-7-14(4)15-9-8-13(3)10-16(15)26-21-20(25)19(24)18(23)17(11-22)27-21/h6,8-10,14,17-25H,5,7,11H2,1-4H3/t14-,17+,18+,19-,20+,21-/m0/s1
InChIKey: InChIKey=KFXLCQDDGZMEIV-MLUPXBCTSA-N
Formula: C21H32O6
Molecular Weight: 380.475988
Exact Mass: 380.219889
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - El Sayed, K.A., Yousaf, M., Hamann, M.T., Avery, M.A., Kelly, M., Wipf, P. J Nat Prod (2002) 65, 1547-53
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Bisabolanes; 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 (C) | 154.8 |
| 2 (CH) | 116.7 |
| 3 (C) | 136.4 |
| 4 (CH) | 123.9 |
| 5 (CH) | 126.6 |
| 6 (C) | 134.2 |
| 7 (CH) | 31.2 |
| 8 (CH2) | 37.2 |
| 9 (CH2) | 26.2 |
| 10 (CH) | 124.8 |
| 11 (C) | 131.2 |
| 12 (CH3) | 17.6 |
| 13 (CH3) | 25.7 |
| 14 (CH3) | 21.5 |
| 15 (CH3) | 21.3 |
| 1' (CH) | 101.9 |
| 2' (CH) | 73.6 |
| 3' (CH) | 75.7 |
| 4' (CH) | 69.6 |
| 5' (CH) | 76.6 |
| 6' (CH2) | 61.7 |
