Spektraris NMR
6β,7β-Carbonyldioxy-labda-8,13E-dien-15-ol
Common Name: 6β,7β-Carbonyldioxy-labda-8,13E-dien-15-ol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H32O4/c1-13(9-12-22)7-8-15-14(2)16-17(25-19(23)24-16)18-20(3,4)10-6-11-21(15,18)5/h9,16-18,22H,6-8,10-12H2,1-5H3/b13-9+/t16-,17-,18+,21-/m1/s1
InChIKey: InChIKey=IOZIAMKHVIRGQW-LVFQBQFYSA-N
Formula: C21H32O4
Molecular Weight: 348.477178
Exact Mass: 348.23006
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Marcos, I.S., Castaneda, L., Basabe, P., Diez, D., Urones, J.G. Tetrahedron (2008) 64, 8815-29
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) | 39 |
| 2 (CH2) | 18.6 |
| 3 (CH2) | 42.5 |
| 4 (C) | 34 |
| 5 (CH) | 51.6 |
| 6 (CH) | 74.9 |
| 7 (CH) | 78.7 |
| 8 (C) | 121 |
| 9 (C) | 149.1 |
| 10 (C) | 38.8 |
| 11 (CH2) | 26.7 |
| 12 (CH2) | 38.4 |
| 13 (C) | 139.2 |
| 14 (CH) | 123.4 |
| 15 (CH2) | 59.3 |
| 16 (CH3) | 16.3 |
| 17 (CH3) | 16.2 |
| 18 (CH3) | 32.8 |
| 19 (CH3) | 23.5 |
| 20 (CH3) | 22.3 |
| 7a (C) | 155.2 |
