Spektraris NMR
Salvigreside A
Common Name: Salvigreside A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H44O8/c1-15-6-5-7-19-25(3,10-8-17(13-28)9-11-27)16(2)12-20(26(15,19)4)34-24-23(32)22(31)21(30)18(14-29)33-24/h6,9,16,18-24,27-32H,5,7-8,10-14H2,1-4H3/b17-9-/t16-,18-,19-,20+,21-,22+,23-,24+,25+,26+/m1/s1
InChIKey: InChIKey=IPBQETGWAMMJLT-RNUWJPKDSA-N
Formula: C26H44O8
Molecular Weight: 484.623766
Exact Mass: 484.303618
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) | 19 |
| 2 (CH2) | 27.7 |
| 3 (CH) | 122.7 |
| 4 (C) | 145.9 |
| 5 (C) | 45.5 |
| 6 (CH) | 87 |
| 7 (CH2) | 36.6 |
| 8 (CH) | 35.6 |
| 9 (C) | 39.3 |
| 10 (CH) | 47.3 |
| 11 (CH2) | 38.4 |
| 12 (CH2) | 28.9 |
| 13 (C) | 143.7 |
| 14 (CH) | 127.3 |
| 15 (CH2) | 58.8 |
| 16 (CH2) | 60.2 |
| 17 (CH3) | 23.8 |
| 18 (CH3) | 16.9 |
| 19 (CH3) | 16.2 |
| 20 (CH3) | 18.4 |
| 1' (CH) | 104.3 |
| 2' (CH) | 75.7 |
| 3' (CH) | 78.7 |
| 4' (CH) | 71.8 |
| 5' (CH) | 77.7 |
| 6' (CH2) | 62.9 |
