Spektraris NMR
15,16-Epoxy-12-oxo-8(17),13(16),14-entlabdatrien-19,20-olide
Common Name: 15,16-Epoxy-12-oxo-8(17),13(16),14-entlabdatrien-19,20-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H24O4/c1-13-4-5-17-19(2)7-3-8-20(17,12-24-18(19)22)15(13)10-16(21)14-6-9-23-11-14/h6,9,11,15,17H,1,3-5,7-8,10,12H2,2H3/t15-,17-,19-,20-/m1/s1
InChIKey: InChIKey=NELUXAHWLQZBLF-RARDXLECSA-N
Formula: C20H24O4
Molecular Weight: 328.402916
Exact Mass: 328.167459
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) | 38.1 |
| 2 (CH2) | 21.1 |
| 3 (CH2) | 39.7 |
| 4 (C) | 43.6 |
| 5 (CH) | 49 |
| 6 (CH2) | 26.5 |
| 7 (CH2) | 35.8 |
| 8 (C) | 146.5 |
| 9 (CH) | 45.2 |
| 10 (C) | 37.9 |
| 11 (CH2) | 36 |
| 12 (C) | 192.7 |
| 13 (C) | 127.6 |
| 14 (CH) | 108.6 |
| 15 (CH) | 144.4 |
| 16 (CH) | 146.8 |
| 17 (CH2) | 109.1 |
| 18 (CH3) | 23.1 |
| 19 (C) | 176 |
| 20 (CH2) | 73.1 |
