Spektraris NMR
2'-O-E-Caffeoyl-8α-hydroxy-11α,13-dihydro-3α-O-β-D-glucozaluzanin C
Common Name: 2'-O-E-Caffeoyl-8α-hydroxy-11α,13-dihydro-3α-O-β-D-glucozaluzanin C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H36O12/c1-12-8-19(34)24-14(3)29(38)42-27(24)23-13(2)20(10-16(12)23)39-30-28(26(37)25(36)21(11-31)40-30)41-22(35)7-5-15-4-6-17(32)18(33)9-15/h4-7,9,14,16,19-21,23-28,30-34,36-37H,1-2,8,10-11H2,3H3/b7-5+/t14-,16+,19+,20+,21-,23+,24-,25-,26+,27-,28-,30-/m1/s1
InChIKey: InChIKey=GTXJTCMGBHOAQX-HBNJJJMWSA-N
Formula: C30H36O12
Molecular Weight: 588.600803
Exact Mass: 588.220677
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Wang, H., Wu, T., Yan, M., Liu, G., Li, P., Zhang, X.Q., Ye, W.C., Zhang, L.Y. Chem Pharm Bull (2009) 57, 597-9
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Guaianes; 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) | 46.1 |
| 2 (CH2) | 37.8 |
| 3 (CH) | 80.9 |
| 4 (C) | 150.1 |
| 5 (CH) | 52.4 |
| 6 (CH) | 80.8 |
| 7 (CH) | 54.4 |
| 8 (CH) | 70.6 |
| 9 (CH2) | 46.4 |
| 10 (C) | 144.8 |
| 11 (CH) | 39.9 |
| 12 (C) | 181.9 |
| 13 (CH3) | 11.5 |
| 14 (CH2) | 116.6 |
| 15 (CH2) | 116.2 |
| 1' (CH) | 99.4 |
| 2' (CH) | 75.3 |
| 3' (CH) | 76.4 |
| 4' (CH) | 72.1 |
| 5' (CH) | 78.1 |
| 6' (CH2) | 62.8 |
| 1'' (C) | 168.3 |
| 2'' (CH) | 115.3 |
| 3'' (CH) | 147.3 |
| 4'' (C) | 127.8 |
| 5'' (CH) | 115.4 |
| 6'' (C) | 149.7 |
| 7'' (C) | 146.8 |
| 8'' (CH) | 116.5 |
| 9'' (CH) | 123 |
