Spektraris NMR
20-O-Acetylhyatolide E
Common Name: 20-O-Acetylhyatolide E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H40O6/c1-16(30)33-22-15-21-27(5)13-8-12-26(3,4)19(27)11-14-28(21,6)20-10-9-18-23(29(20,22)7)24(32)35-25(18)34-17(2)31/h9-10,19-22,25H,8,11-15H2,1-7H3/t19-,20-,21+,22-,25+,27-,28-,29+/m0/s1
InChIKey: InChIKey=KFIDXJDVKDHOMJ-ZFHMVMHCSA-N
Formula: C29H40O6
Molecular Weight: 484.625401
Exact Mass: 484.282489
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) | 39.6 |
| 2 (CH2) | 18.4 |
| 3 (CH2) | 41.9 |
| 4 (C) | 33.3 |
| 5 (CH) | 56.7 |
| 6 (CH2) | 17.7 |
| 7 (CH2) | 40.8 |
| 8 (C) | 37.1 |
| 9 (CH) | 52 |
| 10 (C) | 36.8 |
| 11 (CH2) | 21.2 |
| 12 (CH) | 72.2 |
| 13 (C) | 40.1 |
| 14 (CH) | 53.7 |
| 15 (CH) | 138.8 |
| 16 (CH) | 118.3 |
| 17 (C) | 152.5 |
| 18 (C) | 133.5 |
| 19 (C) | 167.8 |
| 20 (CH) | 91.2 |
| 21 (CH3) | 33.2 |
| 22 (CH3) | 21.3 |
| 23 (CH3) | 15.8 |
| 24 (CH3) | 18.8 |
| 25 (CH3) | 17.1 |
| 12a (C) | 169.7 |
| 12b (CH3) | 21.2 |
| 20a (C) | 169.4 |
| 20b (CH3) | 20.8 |
