Spektraris NMR
(4S)-10a,15-Epoxy-12-hydroxycadinan-3-one
Common Name: (4S)-10a,15-Epoxy-12-hydroxycadinan-3-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H24O3/c1-9-6-10-11(14(2,3)17)4-5-15(8-18-15)12(10)7-13(9)16/h9-12,17H,4-8H2,1-3H3/t9-,10-,11+,12+,15-/m0/s1
InChIKey: InChIKey=JGJYZUWFLGMXRS-RSPOJEKHSA-N
Formula: C15H24O3
Molecular Weight: 252.349831
Exact Mass: 252.172545
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Collins, D.O., Ruddock, P.L., Chiverton de Grasse, J., Reynolds, W.F., Reese, P.B. Phytochemistry (2002) 59, 479-88
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Cadinanes; 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 (CH) | 43.6 |
| 2 (CH2) | 40.4 |
| 3 (C) | 211.9 |
| 4 (CH) | 44.5 |
| 5 (CH2) | 42.1 |
| 6 (CH) | 46.4 |
| 7 (CH) | 52.4 |
| 8 (CH2) | 27.9 |
| 9 (CH2) | 34.5 |
| 10 (C) | 60.5 |
| 11 (C) | 73.9 |
| 12 (CH3) | 24.1 |
| 13 (CH3) | 32.4 |
| 14 (CH3) | 14.4 |
| 15 (CH2) | 49.3 |
