Spektraris NMR
Hyatelone A
Common Name: Hyatelone A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H40O6/c1-15(28)32-19-12-17-24(4)10-7-9-23(2,3)16(24)8-11-25(17,5)18-13-20-27(31,14-21(29)33-20)22(30)26(18,19)6/h16-20,31H,7-14H2,1-6H3/t16-,17+,18-,19-,20-,24-,25+,26+,27+/m0/s1
InChIKey: InChIKey=FELBUECHSGHZKK-ZSLPORIQSA-N
Formula: C27H40O6
Molecular Weight: 460.603929
Exact Mass: 460.282489
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Hernandez-Guerrero, C.J., Zubia, E., Ortega, M.J., Carballo, J.L. Tetrahedron (2006) 62, 5392-400
Species:
Notes: Family : Terpenoids, Type : Sesterterpenoids, Group : Scalaranes; 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) | 39.7 |
| 2 (CH2) | 18.4 |
| 3 (CH2) | 41.8 |
| 4 (C) | 33.3 |
| 5 (CH) | 56.5 |
| 6 (CH2) | 18 |
| 7 (CH2) | 41 |
| 8 (C) | 38.2 |
| 9 (CH) | 52.3 |
| 10 (C) | 36.9 |
| 11 (CH2) | 21.1 |
| 12 (CH) | 72.8 |
| 13 (C) | 51.1 |
| 14 (CH) | 44 |
| 15 (CH2) | 25 |
| 16 (CH) | 85.1 |
| 17 (C) | 78.9 |
| 18 (C) | 210.1 |
| 19 (C) | 172.2 |
| 20 (CH2) | 42.2 |
| 21 (CH3) | 33.2 |
| 22 (CH3) | 21.3 |
| 23 (CH3) | 16.1 |
| 24 (CH3) | 17.5 |
| 25 (CH3) | 20.2 |
| 12a (C) | 169.6 |
| 12b (CH3) | 21.3 |
