Spektraris NMR
8,9-Secokaurane
Common Name: 8,9-Secokaurane
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O3/c1-12-13-6-7-17(22)20(4)9-5-8-19(2,3)16(20)11-15(21)14(10-13)18(12)23/h10,13,15-16,21H,1,5-9,11H2,2-4H3/t13-,15+,16+,20+/m0/s1
InChIKey: InChIKey=HPCCGLBGTJGBJM-NOUYOMCBSA-N
Formula: C20H28O3
Molecular Weight: 316.435274
Exact Mass: 316.203845
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Perry, N.B., Burgess, E.J., Baek, S.H., Weavers, R.T., Geis, W., Mauer, A.B. Phytochemistry (1999) 50, 423-33
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Kauranes; 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) | 34.1 |
| 2 (CH2) | 18.1 |
| 3 (CH2) | 41.4 |
| 4 (C) | 34.7 |
| 5 (CH) | 43.5 |
| 6 (CH2) | 36.7 |
| 7 (CH) | 64.4 |
| 8 (C) | 148.5 |
| 9 (C) | 215.3 |
| 10 (C) | 53.9 |
| 11 (CH2) | 30.8 |
| 12 (CH2) | 25.9 |
| 13 (CH) | 42.4 |
| 14 (CH) | 159.7 |
| 15 (C) | 195.2 |
| 16 (C) | 146 |
| 17 (CH2) | 116.9 |
| 18 (CH3) | 33.7 |
| 19 (CH3) | 22.4 |
| 20 (CH3) | 16.6 |
