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/C20H32O2/c1-7-13(2)8-10-15-14(3)9-11-17-19(4,5)18(22)16(21)12-20(15,17)6/h7-8,15-18,21-22H,1,3,9-12H2,2,4-6H3/b13-8+/t15-,16-,17?,18+,20+/m0/s1
InChIKey: InChIKey=CYVDNLSWCPUNBX-DAZXRKDQSA-N
Formula: C20H32O2
Molecular Weight: 304.467632
Exact Mass: 304.24023
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) | 45 |
| 2 (CH) | 69.1 |
| 3 (CH) | 83.2 |
| 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) | 28.8 |
| 19 (CH3) | 16.6 |
| 20 (CH3) | 15.4 |
