Spektraris NMR
15-Acetylisocupressic acid
Common Name: 15-Acetylisocupressic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H34O4/c1-15(11-14-26-17(3)23)7-9-18-16(2)8-10-19-21(18,4)12-6-13-22(19,5)20(24)25/h11,18-19H,2,6-10,12-14H2,1,3-5H3,(H,24,25)/b15-11+/t18-,19+,21+,22-/m0/s1
InChIKey: InChIKey=HSANNLXBHKRHSH-LMUCYUMOSA-N
Formula: C22H34O4
Molecular Weight: 362.503795
Exact Mass: 362.24571
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Su, W.C., Fang, J.M., Cheng, Y.S. Phytochemistry (1994) 37, 1109-14
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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 |
| 2 (CH2) | 19.8 |
| 3 (CH2) | 37.9 |
| 4 (C) | 44.1 |
| 5 (CH) | 55.3 |
| 6 (CH2) | 26 |
| 7 (CH2) | 38.3 |
| 8 (C) | 147.7 |
| 9 (CH) | 56.3 |
| 10 (C) | 40.3 |
| 11 (CH2) | 21.7 |
| 12 (CH2) | 38.6 |
| 13 (C) | 142.7 |
| 14 (CH) | 118 |
| 15 (CH2) | 61.3 |
| 16 (CH3) | 16.4 |
| 17 (CH2) | 106.3 |
| 18 (CH3) | 28.9 |
| 19 (C) | 183.5 |
| 20 (CH3) | 12.7 |
| 15a (C) | 171.1 |
| 15b (CH3) | 20.9 |
