Spektraris NMR
(4S)-12-Hydroxycadin-10(15)-en-3-one
Common Name: (4S)-12-Hydroxycadin-10(15)-en-3-one
Synonyms: (4S)-12-Hydroxycadin-10(15)-en-3-one
CAS Registry Number:
InChI: InChI=1S/C15H24O2/c1-9-5-6-13(15(3,4)17)12-7-10(2)14(16)8-11(9)12/h10-13,17H,1,5-8H2,2-4H3/t10-,11-,12+,13+/m0/s1
InChIKey: InChIKey=IEVRRNVEPZMZKC-WUHRBBMRSA-N
Formula: C15H24O2
Molecular Weight: 236.350426
Exact Mass: 236.17763
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Buchanan, G.O., Williams, L.A., Reese, P.B. Phytochemistry (2000) 54, 39-45
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) | 45.6 |
| 2 (CH2) | 44.4 |
| 3 (C) | 213.4 |
| 4 (CH) | 48.1 |
| 5 (CH2) | 42 |
| 6 (CH) | 44.5 |
| 7 (CH) | 52.7 |
| 8 (CH2) | 30.7 |
| 9 (CH2) | 36 |
| 10 (C) | 150.7 |
| 11 (C) | 74 |
| 12 (CH3) | 32.4 |
| 13 (CH3) | 23.9 |
| 14 (CH3) | 14.3 |
| 15 (CH2) | 104.8 |
