Spektraris NMR
1b-Acetoxy-8b,12-epoxy-15-hydroxy-cis-entcleroda-13-en-16,15:18a,6a-diolide
Common Name: 1b-Acetoxy-8b,12-epoxy-15-hydroxy-cis-entcleroda-13-en-16,15:18a,6a-diolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H28O8/c1-10(23)27-13-6-5-12-19(26)28-15-9-21(3)20(2,17(13)22(12,15)4)8-14(30-21)11-7-16(24)29-18(11)25/h7,12-17,24H,5-6,8-9H2,1-4H3/t12-,13-,14-,15-,16?,17+,20+,21-,22-/m0/s1
InChIKey: InChIKey=XKMCNVXHYXBDFO-BFGBFILCSA-N
Formula: C22H28O8
Molecular Weight: 420.45377
Exact Mass: 420.178418
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Blas, B., Zapp, J., Becker, H. Phytochemistry (2004) 65, 127-37
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) | 72.5 |
| 2 (CH2) | 24.5 |
| 3 (CH2) | 14.6 |
| 4 (CH) | 46.3 |
| 5 (C) | 39.6 |
| 6 (CH) | 83.4 |
| 7 (CH2) | 35.6 |
| 8 (C) | 84.2 |
| 9 (C) | 47.5 |
| 10 (CH) | 43.8 |
| 11 (CH2) | 45.1 |
| 12 (CH) | 68.3 |
| 13 (C) | 139.5 |
| 14 (CH) | 140.4 |
| 15 (CH) | 97.6 |
| 16 (C) | 170 |
| 17 (CH3) | 25.3 |
| 18 (C) | 177.6 |
| 19 (CH3) | 28.9 |
| 20 (CH3) | 21.1 |
| 1a (C) | 172.2 |
| 1b (CH3) | 21.8 |
