Spektraris NMR
(1a,7a,14b)-1,7,14,18,20-Pentahydroxy-ent-kaur-16-en-15-one
Common Name: (1a,7a,14b)-1,7,14,18,20-Pentahydroxy-ent-kaur-16-en-15-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O6/c1-10-11-3-4-12-19(9-22)13(18(2,8-21)6-5-14(19)23)7-15(24)20(12,16(10)25)17(11)26/h11-15,17,21-24,26H,1,3-9H2,2H3/t11-,12-,13+,14-,15+,17-,18+,19-,20-/m0/s1
InChIKey: InChIKey=TWFHOUXMAZZNJD-RRDNXCLWSA-N
Formula: C20H30O6
Molecular Weight: 366.44937
Exact Mass: 366.204239
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) | 81.3 |
| 2 (CH2) | 30.4 |
| 3 (CH2) | 33.1 |
| 4 (C) | 37.4 |
| 5 (CH) | 45.3 |
| 6 (CH2) | 29.9 |
| 7 (CH) | 74.7 |
| 8 (C) | 62.1 |
| 9 (CH) | 56.9 |
| 10 (C) | 48.1 |
| 11 (CH2) | 21.6 |
| 12 (CH2) | 31.5 |
| 13 (CH) | 47.6 |
| 14 (CH) | 76.7 |
| 15 (C) | 209.5 |
| 16 (C) | 150.9 |
| 17 (CH2) | 115.2 |
| 18 (CH2) | 70.7 |
| 19 (CH3) | 18.6 |
| 20 (CH2) | 62.5 |
