Spektraris NMR
Nervonin C (3)
Common Name: Nervonin C (3)
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H36O9/c1-11-15-8-16(33-12(2)27)20-25(7)18(31)9-17(30)24(5,6)21(25)19(32)23(35-14(4)29)26(20,10-15)22(11)34-13(3)28/h15-18,20-23,30-31H,1,8-10H2,2-7H3/t15-,16+,17+,18+,20+,21-,22-,23+,25+,26+/m1/s1
InChIKey: InChIKey=GXBBMGOUPZDGKP-PMFMSTFJSA-N
Formula: C26H36O9
Molecular Weight: 492.559645
Exact Mass: 492.235933
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Li, L.M., Li, G.Y., Ding, L.S., Yang, L.B., Zhao, Y., Pu, H.X., Xiao, W.L., Han, Q.B., Sun, H.D. J Nat Prod (2008) 71, 684-8
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) | 75.1 |
| 2 (CH2) | 34.9 |
| 3 (CH) | 76.2 |
| 4 (C) | 36.2 |
| 5 (CH) | 49.6 |
| 6 (C) | 207.2 |
| 7 (CH) | 86.7 |
| 8 (C) | 51.1 |
| 9 (CH) | 50.2 |
| 10 (C) | 50.2 |
| 11 (CH) | 70.2 |
| 12 (CH2) | 38.7 |
| 13 (CH) | 37.8 |
| 14 (CH2) | 33.9 |
| 15 (CH) | 79.2 |
| 16 (C) | 150.1 |
| 17 (CH2) | 107.9 |
| 18 (CH3) | 26.4 |
| 19 (CH3) | 22.6 |
| 20 (CH3) | 13.4 |
| 7a (C) | 172.3 |
| 7b (CH3) | 21.6 |
| 11a (C) | 170 |
| 11b (CH3) | 21.4 |
| 15a (C) | 169.4 |
| 15b (CH3) | 20.4 |
