Spektraris NMR
Jaspic Acid
Common Name: Jaspic Acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H38O3/c1-18(2)8-6-13-26(4)14-7-15-27(5)22(19(3)9-12-24(26)27)17-21-16-20(25(29)30)10-11-23(21)28/h8-11,16,22,24,28H,6-7,12-15,17H2,1-5H3,(H,29,30)/t22-,24-,26-,27+/m0/s1
InChIKey: InChIKey=IIMZFSAVKIVVHG-DAANFHMWSA-N
Formula: C27H38O3
Molecular Weight: 410.589833
Exact Mass: 410.282095
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Murray, L.M., A.Johnson, Diaz, M.C., Crews, P. J Org Chem (1997) 62, 5638-41
Species:
Notes: Family : Terpenoids, Type : Sesterterpenoids, Group : Bicarbocyclics; 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) | 39.7 |
| 2 (CH2) | 18.7 |
| 3 (CH2) | 37.1 |
| 4 (C) | 35.7 |
| 5 (CH) | 52.5 |
| 6 (CH2) | 23.3 |
| 7 (CH) | 122.8 |
| 8 (C) | 135 |
| 9 (CH) | 54.3 |
| 10 (C) | 37.1 |
| 11 (CH2) | 26 |
| 12 (C) | 130.1 |
| 13 (C) | 158.2 |
| 14 (CH) | 115.2 |
| 15 (CH) | 129.4 |
| 16 (C) | 121.7 |
| 17 (CH) | 132.4 |
| 18 (C) | 171.7 |
| 22 (CH3) | 22.4 |
| 23 (CH3) | 28.9 |
| 24 (CH2) | 32.7 |
| 25 (CH3) | 14.9 |
| 24a (CH2) | 23 |
| 24b (CH) | 125.6 |
| 24c (C) | 131 |
| 24d (CH3) | 17.6 |
| 24ca (CH3) | 25.8 |
