Spektraris NMR
ent-16-Hydroxylabda-7,13-dien-15,16-olide
Common Name: ent-16-Hydroxylabda-7,13-dien-15,16-olide
Synonyms: ent-16-Hydroxylabda-7,13-dien-15,16-olide
CAS Registry Number:
InChI: InChI=1S/C20H30O3/c1-13-6-9-16-19(2,3)10-5-11-20(16,4)15(13)8-7-14-12-17(21)23-18(14)22/h6,12,15-16,18,22H,5,7-11H2,1-4H3/t15-,16-,18?,20+/m1/s1
InChIKey: InChIKey=FBJNLOLZMDHDFO-PFTJYCAZSA-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) | 39.3 |
| 2 (CH2) | 18.7 |
| 3 (CH2) | 42.1 |
| 4 (C) | 32.9 |
| 5 (CH) | 50 |
| 6 (CH2) | 24.4 |
| 7 (CH) | 123.4 |
| 8 (C) | 133.8 |
| 9 (CH) | 54.4 |
| 10 (C) | 36.8 |
| 11 (CH2) | 24.4 |
| 12 (CH2) | 29.6 |
| 13 (C) | 169.5 |
| 14 (CH) | 117.3 |
| 15 (C) | 171.2 |
| 16 (CH) | 98.6 |
| 17 (CH3) | 22 |
| 18 (CH3) | 21.8 |
| 19 (CH3) | 33 |
| 20 (CH3) | 13.6 |
