Spektraris NMR
(1S*,6S*,11S*)-6alpha-Hydroxydolabella-3E,7E,12-trien-14-one
Common Name: (1S*,6S*,11S*)-6alpha-Hydroxydolabella-3E,7E,12-trien-14-one
Synonyms: (1S*,6S*,11S*)-6alpha-Hydroxydolabella-3E,7E,12-trien-14-one
CAS Registry Number:
InChI: InChI=1S/C20H30O2/c1-13(2)17-12-19(22)20(5)9-8-15(4)11-16(21)10-14(3)6-7-18(17)20/h8,10,12-13,16,18,21H,6-7,9,11H2,1-5H3/b14-10+,15-8+/t16-,18-,20+/m1/s1
InChIKey: InChIKey=HQCVRJOFBONDTQ-BZVGYOAPSA-N
Formula: C20H30O2
Molecular Weight: 302.45175
Exact Mass: 302.22458
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) | 53.7 |
| 2 (CH2) | 38.5 |
| 3 (CH) | 126 |
| 4 (C) | 134.2 |
| 5 (CH2) | 48.9 |
| 6 (CH) | 66.5 |
| 7 (CH) | 132.5 |
| 8 (C) | 135.6 |
| 9 (CH2) | 37.6 |
| 10 (CH2) | 27.9 |
| 11 (CH) | 47.7 |
| 12 (C) | 190.6 |
| 13 (CH) | 123.8 |
| 14 (C) | 213.8 |
| 15 (CH3) | 15.7 |
| 16 (CH3) | 17.2 |
| 17 (CH3) | 16.2 |
| 18 (CH) | 29.6 |
| 19 (CH3) | 21.4 |
| 20 (CH3) | 22.5 |
