Spektraris NMR
11β,12β-Epoxypukalide
Common Name: 11β,12β-Epoxypukalide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H24O7/c1-10(2)11-5-6-21-17(28-21)15(26-19(21)23)9-20(3)16(27-20)14-8-12(18(22)24-4)13(7-11)25-14/h8,11,15-17H,1,5-7,9H2,2-4H3/t11-,15+,16-,17+,20+,21+/m0/s1
InChIKey: InChIKey=QKPWPHBMPBPNMQ-CUJWPGBKSA-N
Formula: C21H24O7
Molecular Weight: 388.411866
Exact Mass: 388.152203
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Grote, D., Dahse, H.M., Seifert, K. Chem Biodivers (2008) 5, 2449-56
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Cembranes; 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) | 40.7 |
| 2 (CH2) | 32.1 |
| 3 (C) | 160 |
| 4 (C) | 114 |
| 5 (CH) | 107.5 |
| 6 (C) | 148.3 |
| 7 (CH) | 55.6 |
| 8 (C) | 56.3 |
| 9 (CH2) | 39.2 |
| 10 (CH) | 76.8 |
| 11 (CH) | 63.3 |
| 12 (C) | 62.5 |
| 13 (CH2) | 24 |
| 14 (CH2) | 26.7 |
| 15 (C) | 145.4 |
| 16 (CH2) | 113.5 |
| 17 (CH3) | 18.9 |
| 18 (C) | 164 |
| 19 (CH3) | 20.3 |
| 20 (C) | 171.2 |
| 18a (CH3) | 51.4 |
