Spektraris NMR
(-)-15,16-Epoxy-cis-cleroda-3,13(16),14-trien-12-hydroxy-18-oic acid-18,6a-olide
Common Name: (-)-15,16-Epoxy-cis-cleroda-3,13(16),14-trien-12-hydroxy-18-oic acid-18,6a-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O4/c1-12-9-17-20(3)14(18(22)24-17)5-4-6-16(20)19(12,2)10-15(21)13-7-8-23-11-13/h5,7-8,11-12,15-17,21H,4,6,9-10H2,1-3H3/t12-,15?,16-,17+,19+,20-/m0/s1
InChIKey: InChIKey=VOCXNWJZRCVBFP-OMXLWPFESA-N
Formula: C20H26O4
Molecular Weight: 330.418797
Exact Mass: 330.183109
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Geis, W., Buschauer, B., Becker, H. Phytochemistry (1999) 51, 643-9
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) | 17.9 |
| 2 (CH2) | 24.8 |
| 3 (CH) | 136.2 |
| 4 (C) | 133.9 |
| 5 (C) | 39.7 |
| 6 (CH) | 85.4 |
| 7 (CH2) | 35.2 |
| 8 (CH) | 32.5 |
| 9 (C) | 39.8 |
| 10 (CH) | 41.6 |
| 11 (CH2) | 45.6 |
| 12 (CH) | 63.4 |
| 13 (C) | 131 |
| 14 (CH) | 108.2 |
| 15 (CH) | 143.7 |
| 16 (CH) | 138.3 |
| 17 (CH3) | 15.7 |
| 18 (C) | 170 |
| 19 (CH3) | 30.7 |
| 20 (CH3) | 16.5 |
