Spektraris NMR
2-O-Methyl-isokallolide A
Common Name: 2-O-Methyl-isokallolide A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H26O4/c1-11(2)15-8-7-14-10-17(25-21(14)22)18(12(3)4)16-9-13(5)19(24-16)20(15)23-6/h9-10,15,17,20H,1,7-8H2,2-6H3/t15-,17+,20-/m0/s1
InChIKey: InChIKey=CRSMEQWOPUZBKN-VPWXQRGCSA-N
Formula: C21H26O4
Molecular Weight: 342.429533
Exact Mass: 342.183109
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rodriguez, A.D., Shi, J.G., Shi, Y.P. J Org Chem (2000) 65, 3192-9
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Pseudopteranes; 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) | 46.6 |
| 2 (CH) | 74.2 |
| 3 (C) | 146.2 |
| 4 (C) | 120.7 |
| 5 (CH) | 113.1 |
| 6 (C) | 150.3 |
| 7 (C) | 142.4 |
| 8 (CH) | 78.7 |
| 9 (CH) | 147.2 |
| 10 (C) | 137.7 |
| 11 (CH2) | 21.7 |
| 12 (CH2) | 33.9 |
| 13 (C) | 145 |
| 14 (CH2) | 114 |
| 15 (CH3) | 17.6 |
| 16 (CH3) | 9.7 |
| 17 (C) | 121.4 |
| 18 (CH3) | 23.1 |
| 19 (CH3) | 20.6 |
| 20 (C) | 175.3 |
| 2a (CH3) | 55.6 |
