Spektraris NMR
Nervonin D
Common Name: Nervonin D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H40O10/c1-12-17-9-18(35-13(2)29)22-27(8)20(36-14(3)30)10-19(33)26(6,7)23(27)21(34)25(38-16(5)32)28(22,11-17)24(12)37-15(4)31/h17-25,33-34H,1,9-11H2,2-8H3/t17-,18+,19+,20+,21-,22+,23-,24-,25+,27+,28+/m1/s1
InChIKey: InChIKey=YICDWQDQLOLNFZ-ZGNDFTJDSA-N
Formula: C28H40O10
Molecular Weight: 536.612285
Exact Mass: 536.262148
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) | 80 |
| 2 (CH2) | 32.1 |
| 3 (CH) | 76.6 |
| 4 (C) | 37.8 |
| 5 (CH) | 41.1 |
| 6 (CH) | 68.5 |
| 7 (CH) | 82 |
| 8 (C) | 44.6 |
| 9 (CH) | 49.7 |
| 10 (C) | 42.1 |
| 11 (CH) | 69.2 |
| 12 (CH2) | 39.5 |
| 13 (CH) | 38.5 |
| 14 (CH2) | 36.6 |
| 15 (CH) | 79.8 |
| 16 (C) | 151.3 |
| 17 (CH2) | 106.1 |
| 18 (CH3) | 28.5 |
| 19 (CH3) | 24.2 |
| 20 (CH3) | 14.9 |
| 1a (C) | 171 |
| 1b (CH3) | 21.8 |
| 7a (C) | 170.8 |
| 7b (CH3) | 21.6 |
| 11a (C) | 170.3 |
| 11b (CH3) | 21.4 |
| 15a (C) | 170 |
| 15b (CH3) | 21.1 |
