Spektraris NMR
Cacospongionolide F
Common Name: Cacospongionolide F
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H38O5/c1-17-8-10-21-22(7-6-13-26(21,3)4)27(17,5)14-12-19-9-11-23(30-16-19)20-15-24(29)32-25(20)31-18(2)28/h9-10,15,17,22-23,25H,6-8,11-14,16H2,1-5H3/t17-,22-,23+,25-,27-/m0/s1
InChIKey: InChIKey=WNPRFDUAKUTDLK-JHWRONCJSA-N
Formula: C27H38O5
Molecular Weight: 442.588643
Exact Mass: 442.271924
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - De Rosa, S., Crispino, A., De Giulio, A., Iodice, C., Amodeo, P., Tancredi, T. J Nat Prod (1999) 62, 1316-8
Species:
Notes: Family : Terpenoids, Type : Sesterterpenoids, Group : Bicarbocyclics; 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) | 31 |
| 2 (CH2) | 23 |
| 3 (CH2) | 42 |
| 4 (C) | 36.7 |
| 5 (C) | 146.5 |
| 6 (CH) | 114.4 |
| 7 (CH2) | 28.9 |
| 8 (CH) | 32.8 |
| 9 (C) | 35.8 |
| 10 (CH) | 40.7 |
| 11 (CH2) | 26.8 |
| 12 (CH2) | 26.8 |
| 13 (C) | 138.6 |
| 14 (CH) | 115.7 |
| 15 (CH2) | 29.6 |
| 16 (CH) | 69.5 |
| 17 (C) | 166.3 |
| 18 (CH) | 117.9 |
| 19 (C) | 168.8 |
| 20 (CH3) | 22.1 |
| 21 (CH3) | 29.4 |
| 22 (CH3) | 14.6 |
| 23 (CH3) | 22.1 |
| 24 (CH2) | 68.3 |
| 25 (CH) | 92.2 |
| 25a (C) | 169.4 |
| 25b (CH3) | 20.7 |
