Spektraris NMR
Acetoxyhydrohalimic acid
Common Name: Acetoxyhydrohalimic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H36O4/c1-15(11-14-26-17(3)23)10-13-21(4)16(2)8-9-19-18(21)7-6-12-22(19,5)20(24)25/h7,15-16,19H,6,8-14H2,1-5H3,(H,24,25)/t15-,16-,19+,21+,22+/m1/s1
InChIKey: InChIKey=XQMPLFWXOSLTEF-XQAUGQPQSA-N
Formula: C22H36O4
Molecular Weight: 364.519677
Exact Mass: 364.26136
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - deMendonca, D., Rodilla, J.M.L., Lithgow, A.M., Marcos, I.S. Phytochemistry (1997) 44, 1301-7
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Halimanes; 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) | 119.5 |
| 2 (CH2) | 22.7 |
| 3 (CH2) | 30.2 |
| 4 (C) | 44.6 |
| 5 (CH) | 38.1 |
| 6 (CH2) | 23 |
| 7 (CH2) | 28.4 |
| 8 (CH) | 38.6 |
| 9 (C) | 42.9 |
| 10 (C) | 141.4 |
| 11 (CH2) | 35.4 |
| 12 (CH2) | 30.8 |
| 13 (CH) | 30.5 |
| 14 (CH2) | 36.6 |
| 15 (CH2) | 63.2 |
| 16 (CH3) | 19.6 |
| 17 (CH3) | 15.6 |
| 18 (CH3) | 20.2 |
| 19 (C) | 184.7 |
| 20 (CH3) | 22.4 |
| 15a (C) | 171.3 |
| 15b (CH3) | 21 |
