Spektraris NMR
Melissoidesin N
Common Name: Melissoidesin N
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H32O5/c1-11-13-8-14(24)17-21(5)7-6-16(25)20(3,4)18(21)15(27-12(2)23)10-22(17,9-13)19(11)26/h13-18,24-25H,1,6-10H2,2-5H3/t13-,14+,15+,16+,17+,18-,21+,22+/m1/s1
InChIKey: InChIKey=QWHRUYMUVUWRRJ-MWKMPQFCSA-N
Formula: C22H32O5
Molecular Weight: 376.487318
Exact Mass: 376.224974
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) | 35.3 |
| 2 (CH2) | 26.1 |
| 3 (CH) | 75.8 |
| 4 (C) | 38.8 |
| 5 (CH) | 48.1 |
| 6 (CH) | 70.1 |
| 7 (CH2) | 41.6 |
| 8 (C) | 49 |
| 9 (CH) | 64.1 |
| 10 (C) | 39 |
| 11 (CH) | 65.1 |
| 12 (CH2) | 38.7 |
| 13 (CH) | 38.1 |
| 14 (CH2) | 37.9 |
| 15 (C) | 208.4 |
| 16 (C) | 151.1 |
| 17 (CH2) | 111.1 |
| 18 (CH3) | 29.4 |
| 19 (CH3) | 23.7 |
| 20 (CH3) | 19.2 |
| 6a (C) | 170.1 |
| 6b (CH3) | 21.6 |
