Spektraris NMR
Melissoidesin Q
Common Name: Melissoidesin Q
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H36O7/c1-11-14-9-15(27)18-23(6)8-7-16(28)22(4,5)19(23)17(30-12(2)25)21(31-13(3)26)24(18,10-14)20(11)29/h14-21,27-29H,1,7-10H2,2-6H3/t14-,15+,16+,17-,18+,19-,20-,21+,23+,24+/m1/s1
InChIKey: InChIKey=MPNGVCXTUCNRPS-JVBMZBMASA-N
Formula: C24H36O7
Molecular Weight: 436.539363
Exact Mass: 436.246104
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Zhao, A.H., Han, Q.B., Li, R.T., Li, S.H., Qing, C., Zhang, Y.L., Zhao, Q.S., Wang, F.S., Sun, H.D. J Nat Prod (2004) 67, 1441-4
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 (CH2) | 36 |
| 2 (CH2) | 26.4 |
| 3 (CH) | 75.8 |
| 4 (C) | 37.8 |
| 5 (CH) | 42.7 |
| 6 (CH) | 71.6 |
| 7 (CH) | 77 |
| 8 (C) | 46.6 |
| 9 (CH) | 52.5 |
| 10 (C) | 38.4 |
| 11 (CH) | 65 |
| 12 (CH2) | 42.7 |
| 13 (CH) | 40.1 |
| 14 (CH2) | 34.8 |
| 15 (CH) | 81 |
| 16 (C) | 158.5 |
| 17 (CH2) | 105.7 |
| 18 (CH3) | 29.6 |
| 19 (CH3) | 24.1 |
| 20 (CH3) | 19.4 |
| 6a (C) | 170.4 |
| 6b (CH3) | 21.4 |
| 7a (C) | 169.9 |
| 7b (CH3) | 21.4 |
