Spektraris NMR
(11E)-13-Oxo-15,16-bisnorlabda-8(20),11-dien-18-ol
Common Name: (11E)-13-Oxo-15,16-bisnorlabda-8(20),11-dien-18-ol
Synonyms: (11E)-13-Oxo-15,16-bisnorlabda-8(20),11-dien-18-ol
CAS Registry Number:
InChI: InChI=1S/C18H28O2/c1-13-6-9-16-17(3,12-19)10-5-11-18(16,4)15(13)8-7-14(2)20/h7-8,15-16,19H,1,5-6,9-12H2,2-4H3/b8-7+/t15-,16-,17-,18+/m0/s1
InChIKey: InChIKey=QDMHHKINLKEGLI-LKZZGXGSSA-N
Formula: C18H28O2
Molecular Weight: 276.414397
Exact Mass: 276.20893
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Li, Y.C., Kuo, Y.H. J Nat Prod (1998) 61, 997-1000
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) | 40.3 |
| 2 (CH2) | 18.3 |
| 3 (CH2) | 35.4 |
| 4 (C) | 39.1 |
| 5 (CH) | 47.3 |
| 6 (CH2) | 22.9 |
| 7 (CH2) | 36.3 |
| 8 (C) | 148.3 |
| 9 (CH) | 60.7 |
| 10 (C) | 38 |
| 11 (CH) | 146.4 |
| 12 (CH) | 133.6 |
| 13 (C) | 198.1 |
| 16 (CH3) | 27.3 |
| 17 (CH2) | 108.7 |
| 18 (CH2) | 71.8 |
| 19 (CH3) | 17.8 |
| 20 (CH3) | 15.6 |
