Spektraris NMR
19-Episuberitenone
Common Name: 19-Episuberitenone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H42O4/c1-17-8-9-19(14-20(17)29)27(30)13-10-22-25(5,16-27)15-21(31-18(2)28)23-24(3,4)11-7-12-26(22,23)6/h8,19,21-23,30H,7,9-16H2,1-6H3/t19?,21-,22+,23+,25+,26-,27-/m1/s1
InChIKey: InChIKey=ZTMQHXLRDHJYRQ-XSNOHSHXSA-N
Formula: C27H42O4
Molecular Weight: 430.621001
Exact Mass: 430.30831
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Diaz-Marrero, A.R., Brito, I., Cueto, M., San-Martin, A., Darias, J. Tetrahedron Lett (2004) 45, 4707-10
Species:
Notes: Family : Terpenoids, Type : Sesterterpenoids, Group : Suberitanes; 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) | 42.3 |
| 2 (CH2) | 18.8 |
| 3 (CH2) | 44.7 |
| 4 (C) | 34.4 |
| 5 (CH) | 57.2 |
| 6 (CH) | 70.8 |
| 7 (CH2) | 47.3 |
| 8 (C) | 35.5 |
| 9 (CH) | 59.6 |
| 10 (C) | 37.5 |
| 11 (CH2) | 18.8 |
| 12 (CH2) | 38.2 |
| 13 (C) | 73 |
| 14 (CH2) | 54.8 |
| 15 (CH3) | 33.3 |
| 16 (CH3) | 23.4 |
| 17 (CH3) | 22.2 |
| 18 (CH3) | 17.7 |
| 19 (CH) | 40.7 |
| 20 (CH2) | 26.9 |
| 21 (C) | 145.8 |
| 22 (C) | 135.4 |
| 23 (CH) | 200.8 |
| 24 (CH2) | 39.3 |
| 25 (CH3) | 15.9 |
| 6a (C) | 170.6 |
| 6b (CH3) | 21.9 |
