Spektraris NMR
Genkwadaphnin
Common Name: Genkwadaphnin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H34O10/c1-17(2)32-25(40-28(37)20-11-7-5-8-12-20)19(4)33-22-15-18(3)24(36)31(22,39)29(38)30(16-35)26(41-30)23(33)27(32)42-34(43-32,44-33)21-13-9-6-10-14-21/h5-15,19,22-23,25-27,29,35,38-39H,1,16H2,2-4H3/t19-,22-,23?,25-,26+,27-,29-,30+,31-,32+,33+,34?/m1/s1
InChIKey: InChIKey=QKMXESBAFIKRAD-FUBDWITLSA-N
Formula: C34H34O10
Molecular Weight: 602.629055
Exact Mass: 602.215197
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Taninaka, H., Takaishi, Y., Honda, G., Imakura, Y., Sezik, E., Yesilada, E. Phytochemistry (1999) 52, 1525-9
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Daphnanes; 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) | 160.3 |
| 2 (C) | 137.1 |
| 3 (C) | 209.4 |
| 4 (C) | 78.8 |
| 5 (CH) | 72 |
| 6 (C) | 60.8 |
| 7 (CH) | 64.3 |
| 8 (CH) | 36 |
| 9 (C) | 72.3 |
| 10 (CH) | 47.6 |
| 11 (CH) | 44.3 |
| 12 (CH) | 79.1 |
| 13 (C) | 84.5 |
| 14 (CH) | 80.9 |
| 15 (C) | 143 |
| 16 (CH2) | 113.9 |
| 17 (CH3) | 18.9 |
| 18 (CH3) | 18.5 |
| 19 (CH3) | 9.9 |
| 20 (CH2) | 64.9 |
| 1' (C) | 117.9 |
| 2' (C) | 129.6 |
| 3' (CH) | 126.1 |
| 4' (CH) | 128.1 |
| 5' (CH) | 128.1 |
| 6' (CH) | 128.1 |
| 7' (CH) | 126.1 |
| 12a (C) | 165.6 |
| 12b (C) | 135.4 |
| 12c (CH) | 129.7 |
| 12d (CH) | 128.7 |
| 12e (CH) | 133.4 |
| 12f (CH) | 128.7 |
| 12g (CH) | 129.7 |
