Spektraris NMR
19,20-di-O-Acetylhyatelone C
Common Name: 19,20-di-O-Acetylhyatelone C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H46O9/c1-16(32)37-22-14-20-28(6)12-9-11-27(4,5)19(28)10-13-29(20,7)21-15-23-31(36,26(35)30(21,22)8)24(38-17(2)33)25(40-23)39-18(3)34/h19-25,36H,9-15H2,1-8H3/t19-,20+,21-,22-,23-,24-,25+,28-,29+,30+,31-/m0/s1
InChIKey: InChIKey=NFRSNKMENCMCDE-LGEYRPPVSA-N
Formula: C31H46O9
Molecular Weight: 562.692732
Exact Mass: 562.314183
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) | 41.9 |
| 4 (C) | 33.3 |
| 5 (CH) | 56.5 |
| 6 (CH2) | 18 |
| 7 (CH2) | 40.8 |
| 8 (C) | 37.8 |
| 9 (CH) | 52.2 |
| 10 (C) | 36.9 |
| 11 (CH2) | 21.6 |
| 12 (CH) | 74.3 |
| 13 (C) | 52 |
| 14 (CH) | 44 |
| 15 (CH2) | 24.7 |
| 16 (CH) | 85.7 |
| 17 (C) | 82 |
| 18 (C) | 212.9 |
| 19 (CH) | 98.3 |
| 20 (CH) | 82.8 |
| 21 (CH3) | 33.2 |
| 22 (CH3) | 21.3 |
| 23 (CH3) | 16 |
| 24 (CH3) | 17.7 |
| 25 (CH3) | 19.1 |
| 12a (C) | 169.5 |
| 12b (CH3) | 21.1 |
| 19a (C) | 169.7 |
| 19b (CH3) | 21.1 |
| 20a (C) | 168.3 |
| 20b (CH3) | 20.7 |
