Spektraris NMR
(12S)-15,16-Epoxylabdane-7,13(16),14-triene-12-ol
Common Name: (12S)-15,16-Epoxylabdane-7,13(16),14-triene-12-ol
Synonyms: (12S)-15,16-Epoxylabdane-7,13(16),14-triene-12-ol
CAS Registry Number:
InChI: InChI=1S/C20H30O2/c1-14-6-7-18-19(2,3)9-5-10-20(18,4)16(14)12-17(21)15-8-11-22-13-15/h6,8,11,13,16-18,21H,5,7,9-10,12H2,1-4H3/t16-,17-,18-,20+/m0/s1
InChIKey: InChIKey=KFBPDAGBYLQWMU-CGBFIWBNSA-N
Formula: C20H30O2
Molecular Weight: 302.45175
Exact Mass: 302.22458
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - De la Torre, M.C., Garcia, I., Sierra, M.A. J Nat Prod (2002) 65, 661-8
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) | 39.1 |
| 2 (CH2) | 18.7 |
| 3 (CH2) | 42.2 |
| 4 (C) | 32.9 |
| 5 (CH) | 50.4 |
| 6 (CH2) | 23.9 |
| 7 (CH) | 122.9 |
| 8 (C) | 134.6 |
| 9 (CH) | 50 |
| 10 (C) | 36.7 |
| 11 (CH2) | 35.5 |
| 12 (CH) | 68 |
| 13 (C) | 128.53 |
| 14 (CH) | 108.74 |
| 15 (CH) | 143.45 |
| 16 (CH) | 139.76 |
| 17 (CH3) | 22.7 |
| 18 (CH3) | 33.1 |
| 19 (CH3) | 21.8 |
| 20 (CH3) | 13.6 |
