Spektraris NMR
Melissoidesin P
Common Name: Melissoidesin P
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H34O6/c1-10-12-8-13(24)16-21(5)7-6-14(25)20(3,4)17(21)15(28-11(2)23)19(27)22(16,9-12)18(10)26/h12-19,24-27H,1,6-9H2,2-5H3/t12-,13+,14+,15-,16+,17-,18-,19+,21+,22+/m1/s1
InChIKey: InChIKey=LUIISUPYQATGOA-PTSBWHOISA-N
Formula: C22H34O6
Molecular Weight: 394.502605
Exact Mass: 394.235539
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) | 35.9 |
| 2 (CH2) | 26.5 |
| 3 (CH) | 75.9 |
| 4 (C) | 38.4 |
| 5 (CH) | 41.2 |
| 6 (CH) | 74.3 |
| 7 (CH) | 77.6 |
| 8 (C) | 46.3 |
| 9 (CH) | 52.3 |
| 10 (C) | 37.9 |
| 11 (CH) | 65.1 |
| 12 (CH2) | 43.2 |
| 13 (CH) | 40.5 |
| 14 (CH2) | 34.7 |
| 15 (CH) | 82.5 |
| 16 (C) | 156.8 |
| 17 (CH2) | 106.2 |
| 18 (CH3) | 29.5 |
| 19 (CH3) | 24.3 |
| 20 (CH3) | 19.4 |
| 6a (C) | 170.2 |
| 6b (CH3) | 21.5 |
