Spektraris NMR
(-)-17-Hydroxy-neo-clerod-3-en-15-oic-acid Acetate
Common Name: (-)-17-Hydroxy-neo-clerod-3-en-15-oic-acid Acetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H36O4/c1-15(13-20(24)25)9-11-22(5)18(14-26-17(3)23)10-12-21(4)16(2)7-6-8-19(21)22/h7,15,18-19H,6,8-14H2,1-5H3,(H,24,25)/t15?,18-,19-,21-,22-/m0/s1
InChIKey: InChIKey=CXRBMEYDBADMHH-XNPRTVRASA-N
Formula: C22H36O4
Molecular Weight: 364.519677
Exact Mass: 364.26136
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Maldonado, E., Seguracorrea, R., Ortega, A., Calderon, J.S., Fronczek, F.R. Phytochemistry (1994) 35, 721-4
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) | 17.7 |
| 2 (CH2) | 26.6 |
| 3 (CH) | 120.5 |
| 4 (C) | 144 |
| 5 (C) | 37.8 |
| 6 (CH2) | 35.4 |
| 7 (CH2) | 22.3 |
| 8 (CH) | 40.6 |
| 9 (C) | 31.9 |
| 10 (CH) | 46.2 |
| 11 (CH2) | 29.3 |
| 12 (CH2) | 36 |
| 13 (CH) | 30.7 |
| 14 (CH2) | 41.5 |
| 15 (C) | 179.1 |
| 16 (CH3) | 19.3 |
| 17 (CH2) | 66.3 |
| 18 (CH3) | 17.9 |
| 19 (CH3) | 19.8 |
| 20 (CH3) | 19.7 |
| 17a (C) | 171.5 |
| 17b (CH3) | 21 |
