Spektraris NMR
(S)-Curcudiol-1a-D-glucopyranoside
Common Name: (S)-Curcudiol-1a-D-glucopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H34O7/c1-12-7-8-14(13(2)6-5-9-21(3,4)26)15(10-12)27-20-19(25)18(24)17(23)16(11-22)28-20/h7-8,10,13,16-20,22-26H,5-6,9,11H2,1-4H3/t13-,16-,17-,18+,19-,20+/m1/s1
InChIKey: InChIKey=WVFAYEGQLHJQDB-FAQOMCGWSA-N
Formula: C21H34O7
Molecular Weight: 398.491274
Exact Mass: 398.230453
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) | 154.6 |
| 2 (CH) | 116.9 |
| 3 (C) | 136.5 |
| 4 (CH) | 123.5 |
| 5 (CH) | 126.6 |
| 6 (C) | 134.8 |
| 7 (CH) | 30.4 |
| 8 (CH2) | 38.6 |
| 9 (CH2) | 29.3 |
| 10 (CH2) | 43.4 |
| 11 (C) | 74.1 |
| 12 (CH3) | 28.9 |
| 13 (CH3) | 22.3 |
| 14 (CH3) | 21.5 |
| 15 (CH3) | 21.4 |
| 1' (CH) | 101.8 |
| 2' (CH) | 73.7 |
| 3' (CH) | 76.1 |
| 4' (CH) | 71.6 |
| 5' (CH) | 76.7 |
| 6' (CH2) | 61.5 |
