Spektraris NMR
Melissoidesin S
Common Name: Melissoidesin S
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H34O7/c1-11-14-7-15(27)19-23(6)17(28)8-18(31-13(3)26)22(4,5)20(23)16(30-12(2)25)10-24(19,9-14)21(11)29/h14-20,27-28H,1,7-10H2,2-6H3/t14-,15+,16+,17+,18+,19+,20-,23+,24+/m1/s1
InChIKey: InChIKey=YVUFIOMPRJXFAY-KYFVBDFRSA-N
Formula: C24H34O7
Molecular Weight: 434.523482
Exact Mass: 434.230453
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 (CH) | 77.1 |
| 2 (CH2) | 33.9 |
| 3 (CH) | 79.4 |
| 4 (C) | 37.5 |
| 5 (CH) | 48.4 |
| 6 (CH) | 70 |
| 7 (CH2) | 38.9 |
| 8 (C) | 51.8 |
| 9 (CH) | 64.7 |
| 10 (C) | 44.9 |
| 11 (CH) | 67 |
| 12 (CH2) | 41.5 |
| 13 (CH) | 38.5 |
| 14 (CH2) | 38.8 |
| 15 (C) | 208.6 |
| 16 (C) | 151.7 |
| 17 (CH2) | 110.4 |
| 18 (CH3) | 28 |
| 19 (CH3) | 23.2 |
| 20 (CH3) | 14.9 |
| 3a (C) | 170.1 |
| 3b (CH3) | 21.6 |
| 6a (C) | 170.2 |
| 6b (CH3) | 20.9 |
