Spektraris NMR
Nervosonin B-1,6,11-triacetate
Common Name: Nervosonin B-1,6,11-triacetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H36O9/c1-12-16-9-17(33-13(2)27)19-24-11-32-26(31,25(19,10-16)21(12)30)22(35-15(4)29)20(24)23(5,6)8-7-18(24)34-14(3)28/h16-22,30-31H,1,7-11H2,2-6H3/t16-,17-,18+,19+,20-,21?,22+,24+,25+,26-/m1/s1
InChIKey: InChIKey=VKHGJAHLMRVMJG-VETSOXDNSA-N
Formula: C26H36O9
Molecular Weight: 492.559645
Exact Mass: 492.235933
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Wang, X.R., Hu, H.P., Wang, H.P., Wang, S.Q., Ueda, S., Fujita, T. Phytochemistry (1994) 37, 1367-70
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Kauranes; 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) | 76.7 |
| 2 (CH2) | 25.3 |
| 3 (CH2) | 38.3 |
| 4 (C) | 33.5 |
| 5 (CH) | 46.6 |
| 6 (CH) | 75.9 |
| 7 (C) | 95.8 |
| 8 (C) | 52.1 |
| 9 (CH) | 53.4 |
| 10 (C) | 40.9 |
| 11 (CH) | 70.1 |
| 12 (CH2) | 41 |
| 13 (CH) | 35.4 |
| 14 (CH2) | 27 |
| 15 (CH) | 75 |
| 16 (C) | 160.9 |
| 17 (CH2) | 108.8 |
| 18 (CH3) | 32.5 |
| 19 (CH3) | 22.3 |
| 20 (CH2) | 65.3 |
| 1a (C) | 170.3 |
| 1b (CH3) | 21.1 |
| 6a (C) | 170.1 |
| 6b (CH3) | 21.4 |
| 11a (C) | 169.7 |
| 11b (CH3) | 22.1 |
