Spektraris NMR
8b,12-epoxy-16a-hydroxy-transcleroda-13-en-16,15:18a,6a-diolide
Common Name: 8b,12-epoxy-16a-hydroxy-transcleroda-13-en-16,15:18a,6a-diolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O6/c1-18-8-12(10-7-15(21)25-16(10)22)26-19(18,2)9-14-20(3)11(17(23)24-14)5-4-6-13(18)20/h7,11-14,16,22H,4-6,8-9H2,1-3H3/t11-,12-,13-,14-,16+,18+,19-,20+/m0/s1
InChIKey: InChIKey=UCBJOPLCTYHIIH-COSJSCKBSA-N
Formula: C20H26O6
Molecular Weight: 362.417607
Exact Mass: 362.172939
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 (CH2) | 20.7 |
| 2 (CH2) | 23 |
| 3 (CH2) | 18.5 |
| 4 (CH) | 42.1 |
| 5 (C) | 40.3 |
| 6 (CH) | 82.3 |
| 7 (CH2) | 32.8 |
| 8 (C) | 85.5 |
| 9 (C) | 45.9 |
| 10 (CH) | 43.8 |
| 11 (CH2) | 44.6 |
| 12 (CH) | 70 |
| 13 (C) | 168.8 |
| 14 (CH) | 116.2 |
| 15 (C) | 169.8 |
| 16 (CH) | 97.2 |
| 17 (CH3) | 23.3 |
| 18 (C) | 176.1 |
| 19 (CH3) | 23 |
| 20 (CH3) | 19.7 |
