Spektraris NMR
12-hydroxy-hardwickicacid
Common Name: 12-hydroxy-hardwickicacid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H30O4/c1-14-8-10-20(2)16(19(23)24-4)6-5-7-18(20)21(14,3)12-17(22)15-9-11-25-13-15/h6,9,11,13-14,17-18,22H,5,7-8,10,12H2,1-4H3/t14-,17?,18+,20+,21+/m1/s1
InChIKey: InChIKey=XCXVEKFZTWTRBQ-VXDGISPBSA-N
Formula: C21H30O4
Molecular Weight: 346.461296
Exact Mass: 346.214409
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Lima, M.A.S., Silveira, E.R., Marques, M.S.L., Santos, R.H.A., Gambardela, M.T.P. Phytochemistry (1996) 41, 217-23
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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) | 18.4 |
| 2 (CH2) | 27.1 |
| 3 (CH) | 137.7 |
| 4 (C) | 142.2 |
| 5 (C) | 37.8 |
| 6 (CH2) | 35.8 |
| 7 (CH2) | 27.4 |
| 8 (CH) | 36.8 |
| 9 (C) | 39.5 |
| 10 (CH) | 47.2 |
| 11 (CH2) | 46 |
| 12 (CH) | 63 |
| 13 (C) | 131.6 |
| 14 (CH) | 108.5 |
| 15 (CH) | 143.4 |
| 16 (CH) | 138.3 |
| 17 (CH3) | 16 |
| 18 (C) | 167.9 |
| 19 (CH3) | 20.9 |
| 20 (CH3) | 17.9 |
| 18a (CH3) | 51 |
