Spektraris NMR
Macrocarpals J
Common Name: Macrocarpals J
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H42O7/c1-15(2)11-17(22-24(32)18(13-29)23(31)19(14-30)25(22)33)20-8-10-28(6,35)21-12-16(26(3,4)34)7-9-27(20,21)5/h13-17,20-21,31-35H,7-12H2,1-6H3/t16-,17+,20+,21-,27+,28-/m1/s1
InChIKey: InChIKey=PXQFFMATXFLUPK-CHKSIUCGSA-N
Formula: C28H42O7
Molecular Weight: 490.629951
Exact Mass: 490.293054
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Osawa, K., Yasuda, H., Morita, H., Takeya, K., Itokawa, H. J Nat Prod (1996) 59, 823-7
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eudesmanes; 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) | 54.3 |
| 2 (CH2) | 24 |
| 3 (CH2) | 45 |
| 4 (C) | 71.1 |
| 5 (CH) | 57.3 |
| 6 (CH2) | 22.4 |
| 7 (CH) | 50.5 |
| 8 (CH2) | 23.5 |
| 9 (CH2) | 41.6 |
| 10 (C) | 39.9 |
| 11 (C) | 71.6 |
| 12 (CH3) | 27.5 |
| 13 (CH3) | 28.2 |
| 14 (CH3) | 14.9 |
| 15 (CH3) | 23.4 |
| 1' (CH) | 29.8 |
| 2' (C) | 113.7 |
| 3' (C) | 171.4 |
| 4' (C) | 107.4 |
| 5' (C) | 171.4 |
| 6' (C) | 106.7 |
| 7' (C) | 169.2 |
| 1'a (CH2) | 39.6 |
| 1'b (CH) | 27 |
| 1'c (CH3) | 22.3 |
| 1'd (CH3) | 25 |
| 4'a (CH) | 192.1 |
| 6'a (CH) | 192.1 |
