Spektraris NMR
2a,7a,15,19-Tetracetoxylabda-8(17),(13Z)-diene
Common Name: 2a,7a,15,19-Tetracetoxylabda-8(17),(13Z)-diene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H42O8/c1-17(11-12-33-19(3)29)9-10-24-18(2)25(36-22(6)32)13-26-27(7,16-34-20(4)30)14-23(35-21(5)31)15-28(24,26)8/h11,23-26H,2,9-10,12-16H2,1,3-8H3/b17-11-/t23-,24-,25+,26-,27+,28+/m0/s1
InChIKey: InChIKey=NBOXEFZDDLYAKH-JORRLGTFSA-N
Formula: C28H42O8
Molecular Weight: 506.629356
Exact Mass: 506.287968
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Fragoso-Serrano, M., Gonzalez-Chimeo, E., Pereda-Miranda, R. J Nat Prod (1999) 62, 45-50
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) | 43.5 |
| 2 (CH) | 68.1 |
| 3 (CH2) | 41 |
| 4 (C) | 38.5 |
| 5 (CH) | 52.8 |
| 6 (CH2) | 30 |
| 7 (CH) | 74.5 |
| 8 (C) | 143.9 |
| 9 (CH) | 54.2 |
| 10 (C) | 40.2 |
| 11 (CH2) | 21.8 |
| 12 (CH2) | 30.1 |
| 13 (C) | 142.3 |
| 14 (CH) | 119.9 |
| 15 (CH2) | 60.9 |
| 16 (CH3) | 23.4 |
| 17 (CH2) | 105.3 |
| 18 (CH3) | 27.7 |
| 19 (CH2) | 66.5 |
| 20 (CH3) | 15.8 |
| 2a (C) | 169.9 |
| 2b (CH3) | 21 |
| 7a (C) | 170.4 |
| 7b (CH3) | 20.8 |
| 15a (C) | 171 |
| 15b (CH3) | 21.1 |
| 19a (C) | 171 |
| 19b (CH3) | 21.4 |
