Spektraris NMR
Acantholide B
Common Name: Acantholide B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H36O4/c1-17(10-7-11-20-16-23(27)29-24(20)28)8-6-9-18(2)12-13-21-19(3)22(26)14-15-25(21,4)5/h9-10,16,24,28H,6-8,11-15H2,1-5H3/b17-10+,18-9+
InChIKey: InChIKey=XPWNPMMYRFJXQW-SCNFBCNRSA-N
Formula: C25H36O4
Molecular Weight: 400.551884
Exact Mass: 400.26136
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) | 173.5 |
| 2 (CH) | 117.9 |
| 3 (C) | 171.2 |
| 4 (CH2) | 28.7 |
| 5 (CH2) | 26.2 |
| 6 (CH) | 124.2 |
| 7 (C) | 137.7 |
| 8 (CH2) | 40.5 |
| 9 (CH2) | 27.4 |
| 10 (CH) | 125.8 |
| 11 (C) | 136.4 |
| 12 (CH2) | 39.7 |
| 13 (CH2) | 31.4 |
| 14 (C) | 167.9 |
| 15 (C) | 128.5 |
| 16 (C) | 201.4 |
| 17 (CH2) | 35.1 |
| 18 (CH2) | 38.4 |
| 19 (C) | 36.7 |
| 20 (CH3) | 27.2 |
| 21 (CH3) | 27.2 |
| 22 (CH3) | 11.8 |
| 23 (CH3) | 16 |
| 24 (CH3) | 16.2 |
| 25 (CH) | 101 |
