Spektraris NMR
Atranones E
Common Name: Atranones E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H34O4/c1-13(2)17-12-20(26)24(6)10-9-15(4)22-18(11-14(3)7-8-19(17)24)21(16(5)25)23(27)28-22/h11-13,16,18-19,21,25H,7-10H2,1-6H3/b14-11+,22-15+/t16-,18-,19-,21+,24+/m1/s1
InChIKey: InChIKey=CCMBGMOYVQDEBC-FRVVKSSTSA-N
Formula: C24H34O4
Molecular Weight: 386.525267
Exact Mass: 386.24571
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Hinkley, S.F., Mazzola, E.P., Fettinger, J.C., Lam, Y.F., Jarvis, B.B. Phytochemistry (2000) 55, 663-73
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Dolabellanes; 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 (C) | 52 |
| 2 (CH2) | 35.8 |
| 3 (CH2) | 27 |
| 4 (C) | 115.6 |
| 5 (C) | 143.6 |
| 6 (CH) | 39.6 |
| 7 (CH) | 129.6 |
| 8 (C) | 135 |
| 9 (CH2) | 36.4 |
| 10 (CH2) | 23.9 |
| 11 (CH) | 43.6 |
| 12 (C) | 188 |
| 13 (CH) | 124.2 |
| 14 (C) | 212 |
| 15 (CH3) | 24.2 |
| 16 (CH3) | 15.5 |
| 17 (CH3) | 17 |
| 18 (CH) | 29.1 |
| 19 (CH3) | 21.2 |
| 20 (CH3) | 22.1 |
| 6a (CH) | 52.9 |
| 6b (CH) | 67.5 |
| 6c (CH3) | 20.8 |
| 6aa (C) | 175.6 |
