Spektraris NMR
17-acetoximulinic acid
Common Name: 17-acetoximulinic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H32O2/c1-14(2)16-8-9-18-17-7-6-15(3)10-11-20(17,4)12-13-21(16,18)19(22)23-5/h6-7,10,14,16-18H,8-9,11-13H2,1-5H3/t16-,17+,18+,20-,21+/m1/s1
InChIKey: InChIKey=UJWNRAFWPAVANM-QBVCYTKMSA-N
Formula: C21H32O2
Molecular Weight: 316.478368
Exact Mass: 316.24023
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Loyola, L.A., Borquez, J., Morales, G., Martin, A.S. Phytochemistry (1997) 44, 649-51
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Mulinanes; 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) | 24.9 |
| 2 (CH2) | 29 |
| 3 (CH) | 57.7 |
| 4 (CH) | 32 |
| 5 (C) | 58.6 |
| 6 (CH2) | 32.9 |
| 7 (CH2) | 36.5 |
| 8 (C) | 34.6 |
| 9 (CH) | 50.5 |
| 10 (CH) | 55.3 |
| 11 (CH) | 132.6 |
| 12 (CH) | 127.7 |
| 13 (C) | 131.5 |
| 14 (CH) | 125.2 |
| 15 (CH2) | 41.4 |
| 16 (CH3) | 25.8 |
| 17 (CH3) | 27.3 |
| 18 (CH3) | 22.9 |
| 19 (CH3) | 22.5 |
| 20 (C) | 174.7 |
| 20a (CH3) | 50.7 |
