Spektraris NMR
Salvigreside C
Common Name: Salvigreside C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H46O10/c1-16-12-22(38-26-25(35)24(34)23(33)20(37-26)15-36-17(2)32)28(4)19(14-31)6-5-7-21(28)27(16,3)10-8-18(13-30)9-11-29/h6,9,16,20-26,29-31,33-35H,5,7-8,10-15H2,1-4H3/b18-9-/t16-,20-,21-,22+,23-,24+,25-,26+,27+,28+/m1/s1
InChIKey: InChIKey=YUICZVHCZMFHJO-VDHZUBENSA-N
Formula: C28H46O10
Molecular Weight: 542.659929
Exact Mass: 542.309098
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Kawahara, N., Tamura, T., Inoue, M., Hosoe, T., Kawai, K., Sekita, S., Satake, M., Goda, Y. Phytochemistry (2004) 65, 2577-81
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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) | 18.7 |
| 2 (CH2) | 27.5 |
| 3 (CH) | 129.1 |
| 4 (C) | 148 |
| 5 (C) | 44.8 |
| 6 (CH) | 87.1 |
| 7 (CH2) | 36.7 |
| 8 (CH) | 35.6 |
| 9 (C) | 39.3 |
| 10 (CH) | 46.9 |
| 11 (CH2) | 38.3 |
| 12 (CH2) | 28.9 |
| 13 (C) | 143.6 |
| 14 (CH) | 127.4 |
| 15 (CH2) | 58.8 |
| 16 (CH2) | 60.2 |
| 17 (CH3) | 23.8 |
| 18 (CH2) | 66 |
| 19 (CH3) | 16.5 |
| 20 (CH3) | 18.3 |
| 1' (CH) | 103.4 |
| 2' (CH) | 75.7 |
| 3' (CH) | 78.6 |
| 4' (CH) | 71.8 |
| 5' (CH) | 75.1 |
| 6' (CH2) | 65 |
| 6'a (C) | 172.6 |
| 6'b (CH3) | 20.9 |
