Spektraris NMR
ent-12R-Hydroxylabda-7,13-dien-15,16-olide
Common Name: ent-12R-Hydroxylabda-7,13-dien-15,16-olide
Synonyms: ent-12R-Hydroxylabda-7,13-dien-15,16-olide
CAS Registry Number:
InChI: InChI=1S/C20H30O3/c1-13-6-7-17-19(2,3)8-5-9-20(17,4)15(13)11-16(21)14-10-18(22)23-12-14/h6,10,15-17,21H,5,7-9,11-12H2,1-4H3/t15-,16+,17-,20+/m1/s1
InChIKey: InChIKey=UMEGZRBMAWYYCS-YZLZLFLDSA-N
Formula: C20H30O3
Molecular Weight: 318.451155
Exact Mass: 318.219495
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Scio, E., Ribeiro, A., Alves, T.M., Romanha, A.J., Dias de Souza Filho, J., Cordell, G.A., Zani, C.L. Phytochemistry (2003) 64, 1125-31
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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) | 39.8 |
| 2 (CH2) | 19 |
| 3 (CH2) | 42.3 |
| 4 (C) | 33.3 |
| 5 (CH) | 50.4 |
| 6 (CH2) | 24.2 |
| 7 (CH) | 124.2 |
| 8 (C) | 133.6 |
| 9 (CH) | 50.8 |
| 10 (C) | 37.2 |
| 11 (CH2) | 34.4 |
| 12 (CH) | 70.6 |
| 13 (C) | 171.9 |
| 14 (CH) | 116.2 |
| 15 (C) | 173.9 |
| 16 (CH2) | 71.2 |
| 17 (CH3) | 23.1 |
| 18 (CH3) | 22.2 |
| 19 (CH3) | 33.4 |
| 20 (CH3) | 14.1 |
