Spektraris NMR
(1a,7a,14b)-1,7,14-Trihydroxy-ent-kaur-16-en-15,18-dione
Common Name: (1a,7a,14b)-1,7,14-Trihydroxy-ent-kaur-16-en-15,18-dione
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O5/c1-10-11-4-5-12-19(3)13(18(2,9-21)7-6-14(19)22)8-15(23)20(12,16(10)24)17(11)25/h9,11-15,17,22-23,25H,1,4-8H2,2-3H3/t11-,12-,13+,14-,15+,17+,18+,19-,20-/m0/s1
InChIKey: InChIKey=JKZLKZYPQLSLFH-GFPDKIFBSA-N
Formula: C20H28O5
Molecular Weight: 348.434084
Exact Mass: 348.193674
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Ding, L., Zhang, Z.J., Liu, G.A., Yang, D.J., Guo, G.C., Wang, H., Sun, K. Helv Chim Acta (2005) 88, 2502-7
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 (CH) | 79.1 |
| 2 (CH2) | 30.2 |
| 3 (CH2) | 32.1 |
| 4 (C) | 49.7 |
| 5 (CH) | 44.7 |
| 6 (CH2) | 28 |
| 7 (CH) | 73.5 |
| 8 (C) | 62.6 |
| 9 (CH) | 56 |
| 10 (C) | 44.6 |
| 11 (CH2) | 20.3 |
| 12 (CH2) | 31.6 |
| 13 (CH) | 47.2 |
| 14 (CH) | 75.8 |
| 15 (C) | 208.1 |
| 16 (C) | 150.2 |
| 17 (CH2) | 115.8 |
| 18 (CH) | 205.7 |
| 19 (CH3) | 14.1 |
| 20 (CH3) | 15.1 |
