Spektraris NMR
1alpha,5alpha-Dihydroxymanoyloxide
Common Name: 1alpha,5alpha-Dihydroxymanoyloxide
Synonyms: 1alpha,5alpha-Dihydroxymanoyloxide
CAS Registry Number:
InChI: InChI=1S/C20H34O3/c1-7-17(4)11-8-14-18(5,23-17)12-13-20(22)16(2,3)10-9-15(21)19(14,20)6/h7,14-15,21-22H,1,8-13H2,2-6H3/t14-,15-,17-,18+,19-,20+/m0/s1
InChIKey: InChIKey=KNAGUBVYJODJHD-KELLYURESA-N
Formula: C20H34O3
Molecular Weight: 322.482918
Exact Mass: 322.250795
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Labbe, C., Castillo, M., Fainia, F., Coll, J., Connolly, J.D. Phytochemistry (1994) 35, 735-8
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 (CH) | 72.1 |
| 2 (CH2) | 25.4 |
| 3 (CH2) | 30.7 |
| 4 (C) | 43 |
| 5 (C) | 79.3 |
| 6 (CH2) | 28.6 |
| 7 (CH2) | 37.1 |
| 8 (C) | 74 |
| 9 (CH) | 41 |
| 10 (C) | 36.9 |
| 11 (CH2) | 15.4 |
| 12 (CH2) | 35.8 |
| 13 (C) | 73 |
| 14 (CH) | 147.7 |
| 15 (CH2) | 110.5 |
| 16 (CH3) | 27.7 |
| 17 (CH3) | 25.8 |
| 18 (CH3) | 26 |
| 19 (CH3) | 24.1 |
| 20 (CH3) | 19.3 |
