Spektraris NMR
(13R)-8,13-Epoxy-14,15,18-trihydroxylabdane-1-one
Common Name: (13R)-8,13-Epoxy-14,15,18-trihydroxylabdane-1-one
Synonyms: (13R)-8,13-Epoxy-14,15,18-trihydroxylabdane-1-one
CAS Registry Number:
InChI: InChI=1S/C20H34O5/c1-17(12-22)8-7-15(23)20(4)13(17)5-9-18(2)14(20)6-10-19(3,25-18)16(24)11-21/h13-14,16,21-22,24H,5-12H2,1-4H3/t13-,14-,16?,17-,18+,19+,20-/m0/s1
InChIKey: InChIKey=OACNZPHEOJYWMQ-JLMLHHQLSA-N
Formula: C20H34O5
Molecular Weight: 354.481728
Exact Mass: 354.240624
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Fraga, B.M., Gonzalez, P., Guillermo, R., Hernandez, M.G. J Nat Prod (1998) 61, 1237-41
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 (C) | 215.7 |
| 2 (CH2) | 35.4 |
| 3 (CH2) | 35.7 |
| 4 (C) | 37.4 |
| 5 (CH) | 49.4 |
| 6 (CH2) | 20.1 |
| 7 (CH2) | 41.4 |
| 8 (C) | 75.7 |
| 9 (CH) | 50.4 |
| 10 (C) | 50.9 |
| 11 (CH2) | 16.9 |
| 12 (CH2) | 33.1 |
| 13 (C) | 70.5 |
| 14 (CH) | 77 |
| 15 (CH2) | 63.2 |
| 16 (CH3) | 24.7 |
| 17 (CH3) | 24.5 |
| 18 (CH2) | 70.3 |
| 19 (CH3) | 18.8 |
| 20 (CH3) | 15.3 |
