Spektraris NMR
Oxo-13-hydroxy-3,14-clerodandiene (4
Common Name: Oxo-13-hydroxy-3,14-clerodandiene (4
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O2/c1-7-18(4,22)10-11-20(6)14(2)8-9-19(5)15(3)12-16(21)13-17(19)20/h7,12,14,17,22H,1,8-11,13H2,2-6H3/t14-,17+,18+,19-,20+/m0/s1
InChIKey: InChIKey=KARUSPOBGJZEMI-JLTFKRJCSA-N
Formula: C20H32O2
Molecular Weight: 304.467632
Exact Mass: 304.24023
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Furlan, M., Lopes, M.N., Fernandes, J.B., Pirani, J.R. Phytochemistry (1996) 41, 1159-61
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) | 35.4 |
| 2 (C) | 199.3 |
| 3 (CH) | 128.5 |
| 4 (C) | 168.9 |
| 5 (C) | 39.5 |
| 6 (CH2) | 26.5 |
| 7 (CH2) | 26.5 |
| 8 (CH) | 35.1 |
| 9 (C) | 38.5 |
| 10 (CH) | 46.9 |
| 11 (CH2) | 31.7 |
| 12 (CH2) | 34.9 |
| 13 (C) | 73.3 |
| 14 (CH) | 145.1 |
| 15 (CH2) | 111.9 |
| 16 (CH3) | 27.6 |
| 17 (CH3) | 14.4 |
| 18 (CH3) | 31.1 |
| 19 (CH3) | 20.9 |
| 20 (CH3) | 22.6 |
