Spektraris NMR
16-Acetoxy-cleroda-3,13-dien-15,16-olide
Common Name: 16-Acetoxy-cleroda-3,13-dien-15,16-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H32O4/c1-14-7-6-8-18-21(14,4)11-9-15(2)22(18,5)12-10-17-13-19(24)26-20(17)25-16(3)23/h7,13,15,18,20H,6,8-12H2,1-5H3/t15-,18+,20+,21+,22+/m1/s1
InChIKey: InChIKey=RUWAXMSQGBJERD-KIWDYCEFSA-N
Formula: C22H32O4
Molecular Weight: 360.487914
Exact Mass: 360.23006
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wijerathne, E.M.K., Desilva, L.B., Tezuka, Y., Kikuchi, T. Phytochemistry (1995) 39, 443-5
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) | 26.8 |
| 3 (CH) | 120.3 |
| 4 (C) | 144.3 |
| 5 (C) | 38.2 |
| 6 (CH2) | 36.7 |
| 7 (CH2) | 27.3 |
| 8 (CH) | 36.4 |
| 9 (C) | 38.7 |
| 10 (CH) | 46.5 |
| 11 (CH2) | 35 |
| 12 (CH2) | 21.1 |
| 13 (C) | 167.9 |
| 14 (CH) | 118.1 |
| 15 (C) | 169.8 |
| 16 (CH) | 93.8 |
| 17 (CH3) | 16 |
| 18 (CH3) | 17.9 |
| 19 (CH3) | 19.9 |
| 20 (CH3) | 18.2 |
| 16a (C) | 20.6 |
| 16b (CH3) | 169 |
