Spektraris NMR
16-Hydroxycleroda-3-en-15,16-olide-3-one
Common Name: 16-Hydroxycleroda-3-en-15,16-olide-3-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O4/c1-12-7-9-20(4)13(2)15(21)5-6-16(20)19(12,3)10-8-14-11-17(22)24-18(14)23/h11-13,16,18,23H,5-10H2,1-4H3/t12-,13-,16-,18?,19+,20+/m1/s1
InChIKey: InChIKey=QUBSKTZAKHEGEY-FWGFTKNQSA-N
Formula: C20H30O4
Molecular Weight: 334.45056
Exact Mass: 334.214409
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chang, F.R., Hwang, T.L., Yang, Y.L., Li, C.E., Wu, C.C., Issa, H.H., Hsieh, W.B., Wu, Y.C. Planta Med (2006) 72, 1344-7
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) | 35.3 |
| 2 (CH2) | 36.7 |
| 3 (C) | 219.6 |
| 4 (CH) | 59.9 |
| 5 (C) | 42.7 |
| 6 (CH2) | 38.2 |
| 7 (CH2) | 27.7 |
| 8 (CH) | 37.5 |
| 9 (C) | 37.3 |
| 10 (CH) | 50 |
| 11 (CH2) | 36.7 |
| 12 (CH2) | 21.7 |
| 13 (C) | 169 |
| 14 (CH) | 117.4 |
| 15 (C) | 170.6 |
| 16 (CH) | 98.3 |
| 17 (CH3) | 15.3 |
| 18 (CH3) | 37.3 |
| 19 (CH3) | 14.4 |
| 20 (CH3) | 17.3 |
