Spektraris NMR
(16R)-13,17-Epoxy-16-hydroxy-ent-kaur-9(11)-en-19-al
Common Name: (16R)-13,17-Epoxy-16-hydroxy-ent-kaur-9(11)-en-19-al
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O3/c1-16(12-21)6-3-7-17(2)14(16)4-8-18-10-19(22)13-23-20(19,11-18)9-5-15(17)18/h5,12,14,22H,3-4,6-11,13H2,1-2H3/t14-,16+,17-,18-,19-,20+/m1/s1
InChIKey: InChIKey=JOAFEXGNKIJILA-BGTOTAHLSA-N
Formula: C20H28O3
Molecular Weight: 316.435274
Exact Mass: 316.203845
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Bao, S.Y., Deng, Z.W., Fu, H.Z., Proksch, P., Lin, W.H. Helv Chim Acta (2005) 88, 2757-63
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) | 39.9 |
| 2 (CH2) | 19.1 |
| 3 (CH2) | 35 |
| 4 (C) | 49.3 |
| 5 (CH) | 45.8 |
| 6 (CH2) | 17 |
| 7 (CH2) | 29.6 |
| 8 (C) | 40.9 |
| 9 (C) | 156.5 |
| 10 (C) | 38.3 |
| 11 (CH) | 114.8 |
| 12 (CH2) | 37.2 |
| 13 (C) | 80 |
| 14 (CH2) | 49 |
| 15 (CH2) | 52.9 |
| 16 (C) | 79 |
| 17 (CH2) | 67.9 |
| 18 (CH3) | 24.2 |
| 19 (CH) | 206.4 |
| 20 (CH3) | 23.7 |
