Spektraris NMR
16b,17-Dihydroxy-ent-kauran-19-oic acid
Common Name: 16b,17-Dihydroxy-ent-kauran-19-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O4/c1-17-7-3-8-18(2,16(22)23)14(17)6-9-19-10-13(4-5-15(17)19)20(24,11-19)12-21/h13-15,21,24H,3-12H2,1-2H3,(H,22,23)/t13-,14+,15+,17-,18-,19+,20-/m1/s1
InChIKey: InChIKey=MRBLTWPEPGRXQN-WMUQSPHGSA-N
Formula: C20H32O4
Molecular Weight: 336.466442
Exact Mass: 336.23006
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wu, Y.C., Hung, Y.C., Chang, F.R., Cosentino, M., Wang, H.K., Lee, K.H. J Nat Prod (1996) 59, 635-7
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 (CH2) | 41.2 |
| 2 (CH2) | 19.9 |
| 3 (CH2) | 38.8 |
| 4 (C) | 44 |
| 5 (CH) | 57.1 |
| 6 (CH2) | 22.5 |
| 7 (CH2) | 42.6 |
| 8 (C) | 43.9 |
| 9 (CH) | 56.8 |
| 10 (C) | 40.1 |
| 11 (CH2) | 19.5 |
| 12 (CH2) | 27.6 |
| 13 (CH) | 41.7 |
| 14 (CH2) | 38.6 |
| 15 (CH2) | 53.5 |
| 16 (C) | 79.8 |
| 17 (CH2) | 70.5 |
| 18 (CH3) | 29.4 |
| 19 (C) | 180.2 |
| 20 (CH3) | 16 |
