Spektraris NMR
19-Acetoxy-2alpha,7alpha-dihydroxy-14,15-dinorlabd-8(20)-en-13-one
Common Name: 19-Acetoxy-2alpha,7alpha-dihydroxy-14,15-dinorlabd-8(20)-en-13-one
Synonyms: 19-Acetoxy-2alpha,7alpha-dihydroxy-14,15-dinorlabd-8(20)-en-13-one
CAS Registry Number:
InChI: InChI=1S/C20H32O5/c1-12(21)6-7-16-13(2)17(24)8-18-19(4,11-25-14(3)22)9-15(23)10-20(16,18)5/h15-18,23-24H,2,6-11H2,1,3-5H3/t15-,16-,17+,18-,19+,20+/m0/s1
InChIKey: InChIKey=AWCSFRIECDTPSB-AXGBLAMUSA-N
Formula: C20H32O5
Molecular Weight: 352.465847
Exact Mass: 352.224974
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) | 47.7 |
| 2 (CH) | 64.7 |
| 3 (CH2) | 45 |
| 4 (C) | 38.6 |
| 5 (CH) | 52.9 |
| 6 (CH2) | 33.5 |
| 7 (CH) | 73.7 |
| 8 (C) | 148.8 |
| 9 (CH) | 54 |
| 10 (C) | 40.5 |
| 11 (CH2) | 17.4 |
| 12 (CH2) | 42.1 |
| 13 (C) | 208.7 |
| 14 (CH3) | 29.7 |
| 17 (CH2) | 104.3 |
| 18 (CH3) | 27.7 |
| 19 (CH2) | 66.9 |
| 20 (CH3) | 15.9 |
| 19a (C) | 171.1 |
| 19b (CH3) | 20.9 |
