Spektraris NMR
12(S)-Hydroxycleroda-3,13-dien-15,16-olide
Common Name: 12(S)-Hydroxycleroda-3,13-dien-15,16-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O3/c1-13-6-5-7-17-19(13,3)9-8-14(2)20(17,4)11-16(21)15-10-18(22)23-12-15/h6,10,14,16-17,21H,5,7-9,11-12H2,1-4H3/t14-,16+,17+,19+,20+/m1/s1
InChIKey: InChIKey=ZOXLJYZAPBQBMD-GVJFSJSTSA-N
Formula: C20H30O3
Molecular Weight: 318.451155
Exact Mass: 318.219495
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Jones, W.P., Lobo-Echeverri, T., Mi, Q., Chai, H.B., Soejarto, D.D., Cordell, G.A., Swanson, S.M., Kinghorn, A.D. J Nat Prod (2007) 70, 372-7
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) | 20.3 |
| 2 (CH2) | 27.6 |
| 3 (CH) | 122 |
| 4 (C) | 144.9 |
| 5 (C) | 39.5 |
| 6 (CH2) | 37.9 |
| 7 (CH2) | 28.7 |
| 8 (CH) | 38.2 |
| 9 (C) | 40.9 |
| 10 (CH) | 48.3 |
| 11 (CH2) | 45.1 |
| 12 (CH) | 65.8 |
| 13 (C) | 179 |
| 14 (CH) | 114.1 |
| 15 (C) | 176.5 |
| 16 (CH2) | 72.9 |
| 17 (CH3) | 16.5 |
| 18 (CH3) | 18.3 |
| 19 (CH3) | 20.7 |
| 20 (CH3) | 18.2 |
