Spektraris NMR
Spiramilactone E
Common Name: Spiramilactone E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O4/c1-11-9-19-7-4-12(11)8-13(19)20-6-3-5-18(2,10-21)15(20)14(16(19)22)24-17(20)23/h12-16,21-22H,1,3-10H2,2H3/t12-,13+,14+,15+,16-,18-,19+,20+/m0/s1
InChIKey: InChIKey=OMDPLJPNOXTENE-BGSZKXRRSA-N
Formula: C20H28O4
Molecular Weight: 332.434679
Exact Mass: 332.198759
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Liu, H.Y., Gao, S., Di, Y.T., Chen, C.X., Lu, Y., Zhang, L., Zheng, Q.T., Hao, X.J. Helv Chim Acta (2007) 90, 1386-90
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Atisanes; 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) | 27.5 |
| 2 (CH2) | 18.9 |
| 3 (CH2) | 33.7 |
| 4 (C) | 36.4 |
| 5 (CH) | 53 |
| 6 (CH) | 79.9 |
| 7 (CH) | 71.8 |
| 8 (C) | 45.3 |
| 9 (CH) | 48.8 |
| 10 (C) | 38.3 |
| 11 (CH2) | 28.9 |
| 12 (CH) | 37.2 |
| 13 (CH2) | 27.5 |
| 14 (CH2) | 29.2 |
| 15 (CH2) | 40.6 |
| 16 (C) | 151.6 |
| 17 (CH2) | 107.3 |
| 18 (CH3) | 26.1 |
| 19 (CH2) | 64 |
| 20 (C) | 180.6 |
