Spektraris NMR
14,15-Dinor-3b-acetoxy-7-labden-13-one
Common Name: 14,15-Dinor-3b-acetoxy-7-labden-13-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O3/c1-13-7-10-17-19(4,5)18(23-15(3)22)11-12-20(17,6)16(13)9-8-14(2)21/h7,16-18H,8-12H2,1-6H3/t16-,17-,18-,20+/m0/s1
InChIKey: InChIKey=FBXIWRSHMFUUKD-CGBFIWBNSA-N
Formula: C20H32O3
Molecular Weight: 320.467037
Exact Mass: 320.235145
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Urones, J.G., Marcos, I.S., Oliva, I.M., Garrido, N.M., Hagget, J., Humphreys, V.M. Phytochemistry (1995) 38, 663-6
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) | 37.2 |
| 2 (CH2) | 23.9 |
| 3 (CH) | 81 |
| 4 (C) | 37.6 |
| 5 (CH) | 49.9 |
| 6 (CH2) | 23.3 |
| 7 (CH) | 122.6 |
| 8 (C) | 134.5 |
| 9 (CH) | 54.3 |
| 10 (C) | 36.7 |
| 11 (CH2) | 20.9 |
| 12 (CH2) | 45.7 |
| 13 (C) | 208.9 |
| 14 (CH3) | 29.8 |
| 17 (CH3) | 21.9 |
| 18 (CH3) | 27.9 |
| 19 (CH3) | 16.2 |
| 20 (CH3) | 13.7 |
| 3a (C) | 170.8 |
| 3b (CH3) | 21.2 |
