Spektraris NMR
1β-Acetoxy-7,12-dihydrosy-15,16-epoxy-cis-cleroda-3,13(16),14-triene-18,6-olide
Common Name: 1β-Acetoxy-7,12-dihydrosy-15,16-epoxy-cis-cleroda-3,13(16),14-triene-18,6-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H28O7/c1-11-17(25)19-22(4)14(20(26)29-19)5-6-16(28-12(2)23)18(22)21(11,3)9-15(24)13-7-8-27-10-13/h5,7-8,10-11,15-19,24-25H,6,9H2,1-4H3/t11-,15?,16-,17-,18-,19+,21+,22-/m1/s1
InChIKey: InChIKey=XXBGXOLYHBENMA-DJCPHNJDSA-N
Formula: C22H28O7
Molecular Weight: 404.454365
Exact Mass: 404.183503
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tazaki, H., Naβ, K., Becker, H. Phytochemistry (1998) 48, 681-5
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 (CH) | 68.4 |
| 2 (CH2) | 32.2 |
| 3 (CH) | 131.4 |
| 4 (C) | 134 |
| 5 (C) | 39.7 |
| 6 (CH) | 92 |
| 7 (CH) | 73.4 |
| 8 (CH) | 37.5 |
| 9 (C) | 39.5 |
| 10 (CH) | 47.2 |
| 11 (CH2) | 45 |
| 12 (CH) | 63.9 |
| 13 (C) | 130.5 |
| 14 (CH) | 108.4 |
| 15 (CH) | 143.5 |
| 16 (CH) | 138.2 |
| 17 (CH3) | 9.7 |
| 18 (C) | 171.3 |
| 19 (CH3) | 30.3 |
| 20 (CH3) | 17.7 |
| 1a (C) | 169 |
| 1b (CH3) | 21.6 |
