Spektraris NMR
Melissoidesin K
Common Name: Melissoidesin K
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H36O8/c1-11(26)30-15-6-7-22(5)17-14-8-13-9-23(17,20(29)24(13,10-25)32-14)19(28)16(31-12(2)27)18(22)21(15,3)4/h13-20,25,28-29H,6-10H2,1-5H3/t13-,14?,15+,16-,17+,18-,19+,20+,22+,23-,24+/m1/s1
InChIKey: InChIKey=LCXCHVUBPCXAQS-JZMMMNLWSA-N
Formula: C24H36O8
Molecular Weight: 452.538768
Exact Mass: 452.241018
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Zhao, A.H., Han, Q.B., Li, S.H., Wang, F.S., Zhao, Q.S., Sun, H.D. Chem Pharm Bull (2003) 51, 845-7
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) | 37.2 |
| 2 (CH2) | 22.9 |
| 3 (CH) | 78.9 |
| 4 (C) | 36.9 |
| 5 (CH) | 42.9 |
| 6 (CH) | 72.8 |
| 7 (CH) | 76.1 |
| 8 (C) | 45.1 |
| 9 (CH) | 48.1 |
| 10 (C) | 36.7 |
| 11 (CH) | 76.3 |
| 12 (CH2) | 39.7 |
| 13 (CH) | 39.7 |
| 14 (CH2) | 37 |
| 15 (CH) | 80.4 |
| 16 (C) | 87.5 |
| 17 (CH2) | 62.7 |
| 18 (CH3) | 28.7 |
| 19 (CH3) | 23.9 |
| 20 (CH3) | 21 |
| 3a (C) | 170.2 |
| 3b (CH3) | 21.6 |
| 6a (C) | 170.2 |
| 6b (CH3) | 21.5 |
