Spektraris NMR
Acantholide E
Common Name: Acantholide E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H38O5/c1-17(10-7-11-20-16-22(28)30-23(20)29)8-6-9-18(2)12-15-25(19(3)26)21(27)13-14-24(25,4)5/h9-10,16,21,23,27,29H,6-8,11-15H2,1-5H3/b17-10+,18-9+/t21-,23?,25-/m1/s1
InChIKey: InChIKey=BDWHNXBIFYPWRV-QSHAYMRXSA-N
Formula: C25H38O5
Molecular Weight: 418.567171
Exact Mass: 418.271924
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Elkhayat, E., Edrada, R., Ebel, R., Wray, V., van Soest, R., Wiryowidagdo, S., Mohamed, M.H., Muller, W.E., Proksch, P. J Nat Prod (2004) 67, 1809-17
Species:
Notes: Family : Terpenoids, Type : Sesterterpenoids, Group : Monocarbocyclics; 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 (C) | 173.6 |
| 2 (CH) | 117.4 |
| 3 (C) | 171.2 |
| 4 (CH2) | 28.7 |
| 5 (CH2) | 26.2 |
| 6 (CH) | 124.1 |
| 7 (C) | 137.8 |
| 8 (CH2) | 40.6 |
| 9 (CH2) | 27.4 |
| 10 (CH) | 125.4 |
| 11 (C) | 136.6 |
| 12 (CH2) | 36.7 |
| 13 (CH2) | 32.2 |
| 14 (C) | 67.5 |
| 15 (C) | 45.1 |
| 16 (CH2) | 39.8 |
| 17 (CH2) | 33.8 |
| 18 (CH) | 81.5 |
| 19 (C) | 216.7 |
| 20 (CH3) | 30.9 |
| 21 (CH3) | 26.3 |
| 22 (CH3) | 27.5 |
| 23 (CH3) | 16.1 |
| 24 (CH3) | 16.2 |
| 25 (CH) | 101.5 |
