Spektraris NMR
14a-Acetoxy-2b,3a-dihydroxy-1(15),8(19),9-trinervitatriene
Common Name: 14a-Acetoxy-2b,3a-dihydroxy-1(15),8(19),9-trinervitatriene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H32O4/c1-12-7-6-8-13(2)16-9-10-22(5)19(16)14(3)18(20(24)21(22)25)17(11-12)26-15(4)23/h6,8,12,16-17,19-21,24-25H,2,7,9-11H2,1,3-5H3/b8-6+/t12-,16+,17+,19-,20-,21+,22+/m1/s1
InChIKey: InChIKey=MFQMDGWMCMFFMH-TWYUQNMDSA-N
Formula: C22H32O4
Molecular Weight: 360.487914
Exact Mass: 360.23006
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Laurent, P., Daloze, D., Pasteels, J.M., Braekman, J.C. J Nat Prod (2005) 68, 532-6
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Trinervitanes; 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 (C) | 129.9 |
| 2 (CH) | 72.6 |
| 3 (CH) | 73.6 |
| 4 (C) | 46 |
| 5 (CH2) | 36.2 |
| 6 (CH2) | 31.5 |
| 7 (CH) | 50 |
| 8 (C) | 150.5 |
| 9 (CH) | 132.2 |
| 10 (CH) | 129.3 |
| 11 (CH2) | 37.7 |
| 12 (CH) | 29.8 |
| 13 (CH2) | 38.5 |
| 14 (CH) | 70.9 |
| 15 (C) | 135.3 |
| 16 (CH) | 58.9 |
| 17 (CH3) | 20.8 |
| 18 (CH3) | 20.8 |
| 19 (CH2) | 109.8 |
| 20 (CH3) | 23.3 |
| 14a (C) | 171.2 |
| 14b (CH3) | 21.3 |
