Spektraris NMR
19-Acetoxy-2a,7a-dihydroxylabda-8(17),(13Z)-dien-15-al
Common Name: 19-Acetoxy-2a,7a-dihydroxylabda-8(17),(13Z)-dien-15-al
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H34O5/c1-14(8-9-23)6-7-18-15(2)19(26)10-20-21(4,13-27-16(3)24)11-17(25)12-22(18,20)5/h8-9,17-20,25-26H,2,6-7,10-13H2,1,3-5H3/b14-8-/t17-,18?,19+,20-,21+,22+/m0/s1
InChIKey: InChIKey=XZQJBUKWKSKQAS-GAWYYGCPSA-N
Formula: C22H34O5
Molecular Weight: 378.5032
Exact Mass: 378.240624
NMR Solvent: C6D6
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) | 47.6 |
| 2 (CH) | 64.3 |
| 3 (CH2) | 45.3 |
| 4 (C) | 38.6 |
| 5 (CH) | 53 |
| 6 (CH2) | 33.6 |
| 7 (CH) | 73.4 |
| 8 (C) | 149.3 |
| 9 (CH) | 53.4 |
| 10 (C) | 40.2 |
| 11 (CH2) | 21.9 |
| 12 (CH2) | 30.4 |
| 13 (C) | 162.9 |
| 14 (CH) | 129.6 |
| 15 (CH) | 190.2 |
| 16 (CH3) | 24.2 |
| 17 (CH2) | 104.8 |
| 18 (CH3) | 27.7 |
| 19 (CH2) | 67 |
| 20 (CH3) | 16.1 |
| 19a (C) | 170.5 |
| 19b (CH3) | 20.4 |
