Spektraris NMR
6beta-Acetoxy-15,16-epoxylabda-8,13(16),14-trien-7-one
Common Name: 6beta-Acetoxy-15,16-epoxylabda-8,13(16),14-trien-7-one
Synonyms: 6beta-Acetoxy-15,16-epoxylabda-8,13(16),14-trien-7-one
CAS Registry Number:
InChI: InChI=1S/C22H30O4/c1-14-17(8-7-16-9-12-25-13-16)22(5)11-6-10-21(3,4)20(22)19(18(14)24)26-15(2)23/h9,12-13,19-20H,6-8,10-11H2,1-5H3/t19-,20+,22-/m1/s1
InChIKey: InChIKey=JYYMMVCOASZXPR-RZUBCFFCSA-N
Formula: C22H30O4
Molecular Weight: 358.472032
Exact Mass: 358.214409
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Gray, C.A., Rivett, D.E., Davies-Coleman, M.T Phytochemistry (2003) 63, 409-13
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) | 37.6 |
| 2 (CH2) | 18.6 |
| 3 (CH2) | 43.6 |
| 4 (C) | 33.8 |
| 5 (CH) | 53 |
| 6 (CH) | 70.2 |
| 7 (C) | 193.5 |
| 8 (C) | 129.3 |
| 9 (C) | 168.5 |
| 10 (C) | 41.1 |
| 11 (CH2) | 30.7 |
| 12 (CH2) | 24.3 |
| 13 (C) | 124.4 |
| 14 (CH) | 110.5 |
| 15 (CH) | 143.1 |
| 16 (CH) | 138.7 |
| 17 (CH3) | 11.7 |
| 18 (CH3) | 32.5 |
| 19 (CH3) | 23 |
| 20 (CH3) | 21.8 |
| 6a (C) | 169.6 |
| 6b (CH3) | 21.4 |
