Spektraris NMR
15,16-Epoxy-12S-hydroxylabda-8(17),13(16),14-triene
Common Name: 15,16-Epoxy-12S-hydroxylabda-8(17),13(16),14-triene
Synonyms: 15,16-Epoxy-12S-hydroxylabda-8(17),13(16),14-triene
CAS Registry Number:
InChI: InChI=1S/C20H30O2/c1-14-6-7-18-19(2,3)9-5-10-20(18,4)16(14)12-17(21)15-8-11-22-13-15/h8,11,13,16-18,21H,1,5-7,9-10,12H2,2-4H3/t16-,17-,18-,20+/m0/s1
InChIKey: InChIKey=HJODEDKXJPYIBN-CGBFIWBNSA-N
Formula: C20H30O2
Molecular Weight: 302.45175
Exact Mass: 302.22458
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Villamizar, J., Fuentes, J., Salazar, F., Tropper, E., Alonso, R. J Nat Prod (2003) 66, 1623-7
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) | 38.97 |
| 2 (CH2) | 19.3 |
| 3 (CH2) | 42.06 |
| 4 (C) | 33.52 |
| 5 (CH) | 55.54 |
| 6 (CH2) | 24.31 |
| 7 (CH2) | 38.26 |
| 8 (C) | 149.7 |
| 9 (CH) | 53.8 |
| 10 (C) | 39.65 |
| 11 (CH2) | 31.73 |
| 12 (CH) | 65.14 |
| 13 (C) | 130.23 |
| 14 (CH) | 106.88 |
| 15 (CH) | 138.36 |
| 16 (CH) | 143.19 |
| 17 (CH2) | 108.48 |
| 18 (CH3) | 33.52 |
| 19 (CH3) | 21.64 |
| 20 (CH3) | 14.39 |
