Spektraris NMR
Gelomulide Q
Common Name: Gelomulide Q
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H32O8/c1-11-19-14(32-21(11)28)9-16-23(6)15(22(4,5)8-7-17(23)30-12(2)25)10-18(31-13(3)26)24(16,29)20(19)27/h7-8,14-18,20,27,29H,9-10H2,1-6H3/t14-,15-,16+,17-,18+,20+,23-,24-/m1/s1
InChIKey: InChIKey=RWKYVOMJCYGDMM-HNZYMZDXSA-N
Formula: C24H32O8
Molecular Weight: 448.507005
Exact Mass: 448.209718
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Lee, C.L., Chang, F.R., Hsieh, P.W., Chiang, M.Y., Wu, C.C., Huang, Z.Y., Lan, Y.H., Chen, M., Lee, K.H., Yen, H.F., Hung, W.C., Wu, Y.C. Phytochemistry (2008) 69, 276-87
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Abietanes; 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) | 71.5 |
| 2 (CH) | 119.7 |
| 3 (CH) | 142.9 |
| 4 (C) | 34.6 |
| 5 (CH) | 37.1 |
| 6 (CH2) | 26.4 |
| 7 (CH) | 75.7 |
| 8 (C) | 74.3 |
| 9 (CH) | 43.2 |
| 10 (C) | 40.8 |
| 11 (CH2) | 28.4 |
| 12 (CH) | 76.5 |
| 13 (C) | 159.8 |
| 14 (CH) | 70.6 |
| 15 (C) | 124.2 |
| 16 (C) | 174.5 |
| 17 (CH3) | 8.5 |
| 18 (CH3) | 31 |
| 19 (CH3) | 22.2 |
| 20 (CH3) | 17.6 |
| 1a (C) | 170.2 |
| 1b (CH3) | 21.2 |
| 7a (C) | 170.7 |
| 7b (CH3) | 21.2 |
