Spektraris NMR
(11S,12E,15R)-11,15-Epoxy-15-hydroxylabda-8(20),12-dien-16-al
Common Name: (11S,12E,15R)-11,15-Epoxy-15-hydroxylabda-8(20),12-dien-16-al
Synonyms: (11S,12E,15R)-11,15-Epoxy-15-hydroxylabda-8(20),12-dien-16-al
CAS Registry Number:
InChI: InChI=1S/C20H30O3/c1-13-6-7-16-19(2,3)8-5-9-20(16,4)18(13)15-10-14(12-21)11-17(22)23-15/h10,12,15-18,22H,1,5-9,11H2,2-4H3/t15-,16-,17+,18+,20-/m0/s1
InChIKey: InChIKey=QKYXUSCKJQTICD-IPLXSBJHSA-N
Formula: C20H30O3
Molecular Weight: 318.451155
Exact Mass: 318.219495
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Zhou, B.N., Baj, N.J., Glass, T.E., Malone, S., Werkhoven, M.C., van Troon, F., David, Wisse, J.H., Kingston, D.G. J Nat Prod (1997) 60, 1287-93
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 |
| 2 (CH2) | 19.2 |
| 3 (CH2) | 42 |
| 4 (C) | 33.6 |
| 5 (CH) | 55.9 |
| 6 (CH2) | 24 |
| 7 (CH2) | 38 |
| 8 (C) | 144.9 |
| 9 (CH) | 62.6 |
| 10 (C) | 39.1 |
| 11 (CH) | 85.8 |
| 12 (CH) | 155.9 |
| 13 (C) | 136.4 |
| 14 (CH2) | 28 |
| 15 (CH) | 101.9 |
| 16 (CH) | 192.4 |
| 17 (CH2) | 109.2 |
| 18 (CH3) | 33.7 |
| 19 (CH3) | 21.6 |
| 20 (CH3) | 16.7 |
