Spektraris NMR
16xi-hydroxycleroda-3,13-dien-15,16-olide
Common Name: 16xi-hydroxycleroda-3,13-dien-15,16-olide
Synonyms: 16xi-hydroxycleroda-3,13-dien-15,16-olide
CAS Registry Number:
InChI: InChI=1S/C20H30O3/c1-13-6-5-7-16-19(13,3)10-8-14(2)20(16,4)11-9-15-12-17(21)23-18(15)22/h6,12,14,16,18,22H,5,7-11H2,1-4H3/t14-,16+,18?,19+,20+/m0/s1
InChIKey: InChIKey=LVSCWEDTMWAASP-YTYPLSIXSA-N
Formula: C20H30O3
Molecular Weight: 318.451155
Exact Mass: 318.219495
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Imamura, P.M., Costa, M. J Nat Prod (2000) 63, 1623-5
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) | 18.3 |
| 2 (CH2) | 26.5 |
| 3 (CH) | 122.4 |
| 4 (C) | 144.4 |
| 5 (C) | 38.7 |
| 6 (CH2) | 38.2 |
| 7 (CH2) | 27.4 |
| 8 (CH) | 36.7 |
| 9 (C) | 38.7 |
| 10 (CH) | 46.5 |
| 11 (CH2) | 34.8 |
| 12 (CH2) | 21.4 |
| 13 (C) | 170.4 |
| 14 (CH) | 117 |
| 15 (C) | 171.6 |
| 16 (CH) | 99.1 |
| 17 (CH3) | 18.2 |
| 18 (CH3) | 18 |
| 19 (CH3) | 19.9 |
| 20 (CH3) | 16 |
