Spektraris NMR
Portulene Acetal
Common Name: Portulene Acetal
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H34O5/c1-14-5-4-6-17-20(9-7-16(12-23)8-10-22)13-26-19(25-3)21(14,17)18(24)11-15(20)2/h5,8,15,17-19,22-24H,4,6-7,9-13H2,1-3H3/b16-8-/t15-,17-,18+,19?,20-,21-/m1/s1
InChIKey: InChIKey=OYOCQFXSNOJORV-NEXQPRSPSA-N
Formula: C21H34O5
Molecular Weight: 366.492464
Exact Mass: 366.240624
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Ohsaki, A., Asaka, Y., Kubota, T., Shibata, K., Tokoroyama, T. J Nat Prod (1997) 60, 912-4
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) | 20.28 |
| 2 (CH2) | 27.25 |
| 3 (CH) | 126.5 |
| 4 (C) | 138.77 |
| 5 (C) | 47.03 |
| 6 (CH) | 77.2 |
| 7 (CH2) | 42.37 |
| 8 (CH) | 36.14 |
| 9 (C) | 37.63 |
| 10 (CH) | 44.46 |
| 11 (CH2) | 30.21 |
| 12 (CH2) | 27.19 |
| 13 (C) | 143.23 |
| 14 (CH) | 127.39 |
| 15 (CH2) | 58.71 |
| 16 (CH2) | 60.14 |
| 17 (CH3) | 15.75 |
| 18 (CH3) | 22.71 |
| 19 (CH) | 100.36 |
| 20 (CH2) | 62.89 |
| 19a (CH3) | 55.75 |
