Spektraris NMR
Melissoidesin J
Common Name: Melissoidesin J
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H36O7/c1-12(26)29-16-10-23-9-14-8-15(31-24(14,11-25)20(23)28)19(23)22(5)7-6-17(30-13(2)27)21(3,4)18(16)22/h14-20,25,28H,6-11H2,1-5H3/t14-,15?,16+,17+,18-,19+,20+,22-,23+,24+/m1/s1
InChIKey: InChIKey=LUHCQTRIEYKIPM-FFVLINHZSA-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, 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) | 37.1 |
| 2 (CH2) | 22.9 |
| 3 (CH) | 78.6 |
| 4 (C) | 36.7 |
| 5 (CH) | 50.2 |
| 6 (CH) | 69.9 |
| 7 (CH2) | 39.3 |
| 8 (C) | 44.2 |
| 9 (CH) | 52 |
| 10 (C) | 37.3 |
| 11 (CH) | 76.3 |
| 12 (CH2) | 39.3 |
| 13 (CH) | 39.5 |
| 14 (CH2) | 39.2 |
| 15 (CH) | 78.9 |
| 16 (C) | 87.2 |
| 17 (CH2) | 62.9 |
| 18 (CH3) | 28.7 |
| 19 (CH3) | 23.4 |
| 20 (CH3) | 21.2 |
| 3a (C) | 170.3 |
| 3b (CH3) | 21.7 |
| 6a (C) | 170.2 |
| 6b (CH3) | 21 |
