Spektraris NMR
(5alpha,8alpha,9S,10beta,13R)-2beta-Hydroperoxycleroda-3,14-diene-13-ol
Common Name: (5alpha,8alpha,9S,10beta,13R)-2beta-Hydroperoxycleroda-3,14-diene-13-ol
Synonyms: (5alpha,8alpha,9S,10beta,13R)-2beta-Hydroperoxycleroda-3,14-diene-13-ol
CAS Registry Number:
InChI: InChI=1S/C20H34O3/c1-7-18(4,21)10-11-20(6)14(2)8-9-19(5)15(3)12-16(23-22)13-17(19)20/h7,12,14,16-17,21-22H,1,8-11,13H2,2-6H3/t14-,16-,17+,18+,19+,20+/m1/s1
InChIKey: InChIKey=PUYKSYJUMZVGFC-QIXFSGBHSA-N
Formula: C20H34O3
Molecular Weight: 322.482918
Exact Mass: 322.250795
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Bomm, M.D., Zukerman-Schpector, J., Lopes, L.M.X. Phytochemistry (1999) 50, 455-61
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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) | 22 |
| 2 (CH) | 79.2 |
| 3 (CH) | 116.7 |
| 4 (C) | 155 |
| 5 (C) | 37.8 |
| 6 (CH2) | 33.2 |
| 7 (CH2) | 27.1 |
| 8 (CH) | 36.4 |
| 9 (C) | 39.1 |
| 10 (CH) | 40.4 |
| 11 (CH2) | 30.7 |
| 12 (CH2) | 36.1 |
| 13 (C) | 73.9 |
| 14 (CH) | 146.3 |
| 15 (CH2) | 111.2 |
| 16 (CH3) | 25 |
| 17 (CH3) | 15.6 |
| 18 (CH3) | 18.3 |
| 19 (CH3) | 18.1 |
| 20 (CH3) | 18.4 |
