Spektraris NMR
9-O-Acetylsalograviolide A
Common Name: 9-O-Acetylsalograviolide A
Synonyms: 9-O-Acetylsalograviolide A
CAS Registry Number:
InChI: InChI=1S/C19H22O7/c1-7-12-6-13(24-10(4)20)8(2)14(12)18-15(9(3)19(23)26-18)16(22)17(7)25-11(5)21/h12-18,22H,1-3,6H2,4-5H3/t12-,13-,14-,15+,16+,17+,18+/m0/s1
InChIKey: InChIKey=BHTRXLOICZLHBF-PDQWNOJRSA-N
Formula: C19H22O7
Molecular Weight: 362.374513
Exact Mass: 362.136553
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Vajs, V., Todorovic, N., Ristic, M., Tesevic, V., Todorovic, B., Janackovic, P., Marin, P., Milosavljevic, S. Phytochemistry (1999) 52, 383-6
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) | 48.8 |
| 2 (CH2) | 36 |
| 3 (CH) | 74.5 |
| 4 (C) | 147.4 |
| 5 (CH) | 47.8 |
| 6 (CH) | 78.8 |
| 7 (CH) | 41.1 |
| 8 (CH) | 75.2 |
| 9 (CH) | 81 |
| 10 (C) | 143.7 |
| 11 (C) | 135.9 |
| 12 (C) | 170.6 |
| 13 (CH2) | 125.5 |
| 14 (CH2) | 113.8 |
| 15 (CH2) | 113.1 |
| 3a (C) | 170.6 |
| 3b (CH3) | 21.1 |
| 9a (C) | 169.9 |
| 9b (CH3) | 21 |
