Spektraris NMR
15,16-Epoxy-8(17),13(16),14-ent-labdatrien-20,19-olide
Common Name: 15,16-Epoxy-8(17),13(16),14-ent-labdatrien-20,19-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O3/c1-14-4-7-17-19(2)9-3-10-20(17,18(21)23-13-19)16(14)6-5-15-8-11-22-12-15/h8,11-12,16-17H,1,3-7,9-10,13H2,2H3/t16-,17-,19+,20-/m1/s1
InChIKey: InChIKey=GWSYJSBQYQWLDU-IZBJGVDFSA-N
Formula: C20H26O3
Molecular Weight: 314.419392
Exact Mass: 314.188195
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - DellaGreca, M., Fiorentino, A., Isidori, M., Monaco, P., Temussi, F., Zarrelli, A. Phytochemistry (2001) 58, 299-304
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) | 41.8 |
| 2 (CH2) | 20.9 |
| 3 (CH2) | 36 |
| 4 (C) | 33.4 |
| 5 (CH) | 49.4 |
| 6 (CH2) | 28.1 |
| 7 (CH2) | 36.9 |
| 8 (C) | 145.2 |
| 9 (CH) | 51.6 |
| 10 (C) | 51.2 |
| 11 (CH2) | 23.7 |
| 12 (CH2) | 25.7 |
| 13 (C) | 125.2 |
| 14 (CH) | 111 |
| 15 (CH) | 142.7 |
| 16 (CH) | 138.8 |
| 17 (CH2) | 108.2 |
| 18 (CH3) | 23.7 |
| 19 (CH2) | 76.4 |
| 20 (C) | 172.9 |
