Spektraris NMR
ent-9a-Hydroxy-16-ketobeyeran-19-oic acid
Common Name: ent-9a-Hydroxy-16-ketobeyeran-19-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O4/c1-16-9-10-20(24)18(3)7-4-6-17(2,15(22)23)13(18)5-8-19(20,12-16)11-14(16)21/h13,24H,4-12H2,1-3H3,(H,22,23)/t13-,16+,17-,18-,19+,20-/m1/s1
InChIKey: InChIKey=IFBDONATNOSZJB-JPXWGHGXSA-N
Formula: C20H30O4
Molecular Weight: 334.45056
Exact Mass: 334.214409
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Hsu, F.L., Hou, C.C., Yang, L.M., Cheng, J.T., Chi, T.C., Liu, P.C., Lin, S.J. J Nat Prod (2002) 65, 273-7
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) | 32.9 |
| 2 (CH2) | 20.3 |
| 3 (CH2) | 39 |
| 4 (C) | 44.6 |
| 5 (CH) | 48.9 |
| 6 (CH2) | 23.2 |
| 7 (CH2) | 37.5 |
| 8 (C) | 49.1 |
| 9 (C) | 76.6 |
| 10 (C) | 44.4 |
| 11 (CH2) | 27.1 |
| 12 (CH2) | 34.2 |
| 13 (C) | 45.4 |
| 14 (CH2) | 48.6 |
| 15 (CH2) | 51 |
| 16 (C) | 221 |
| 17 (CH3) | 20.8 |
| 18 (CH3) | 30.2 |
| 19 (C) | 180.8 |
| 20 (CH3) | 17.4 |
