Spektraris NMR
2,3-Diacetoxy labda-8(17),12(E),14-triene
Common Name: 2,3-Diacetoxy labda-8(17),12(E),14-triene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H36O4/c1-9-15(2)10-12-19-16(3)11-13-21-23(6,7)22(28-18(5)26)20(27-17(4)25)14-24(19,21)8/h9-10,19-22H,1,3,11-14H2,2,4-8H3/b15-10+/t19-,20-,21?,22+,24+/m0/s1
InChIKey: InChIKey=FDPWHNCLTZPPDH-UCQRANQXSA-N
Formula: C24H36O4
Molecular Weight: 388.541148
Exact Mass: 388.26136
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Roengsumran S., Petsom A., Kuptiyanuwat N., Vilaivan T., Ngamrojnavanich N., Chaichantipyuth C., Phuthong S Phytochemistry (2001) 56, 103-7
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) | 42.4 |
| 2 (CH) | 70 |
| 3 (CH) | 80.2 |
| 4 (C) | 39.3 |
| 5 (CH) | 54.1 |
| 6 (CH2) | 23.4 |
| 7 (CH2) | 37.4 |
| 8 (C) | 146.6 |
| 9 (CH) | 56.5 |
| 10 (C) | 39.9 |
| 11 (CH2) | 23.3 |
| 12 (CH) | 132.8 |
| 13 (C) | 133.8 |
| 14 (CH) | 141.3 |
| 15 (CH2) | 110.1 |
| 16 (CH3) | 11.9 |
| 17 (CH2) | 108.9 |
| 18 (CH3) | 28.5 |
| 19 (CH3) | 17.5 |
| 20 (CH3) | 15.2 |
| 2a (C) | 170.3 |
| 2b (CH3) | 21 |
| 3a (C) | 170.5 |
| 3b (CH3) | 20.8 |
