Spektraris NMR
16a,17-Dihydroxy-ent-kauran-19-oic acid
Common Name: 16a,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-INIPNLRTSA-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) | 41.1 |
| 2 (CH2) | 19.8 |
| 3 (CH2) | 38.7 |
| 4 (C) | 43.9 |
| 5 (CH) | 57 |
| 6 (CH2) | 23 |
| 7 (CH2) | 42.8 |
| 8 (C) | 45 |
| 9 (CH) | 56.3 |
| 10 (C) | 40.1 |
| 11 (CH2) | 19 |
| 12 (CH2) | 26.8 |
| 13 (CH) | 45.9 |
| 14 (CH2) | 37.8 |
| 15 (CH2) | 53.9 |
| 16 (C) | 81.7 |
| 17 (CH2) | 66.5 |
| 18 (CH3) | 29.3 |
| 19 (C) | 180.1 |
| 20 (CH3) | 16 |
