Spektraris NMR
(4S)-13-Hydroxycandin-10(15)-en-3-one
Common Name: (4S)-13-Hydroxycandin-10(15)-en-3-one
Synonyms: (4S)-13-Hydroxycandin-10(15)-en-3-one
CAS Registry Number:
InChI: InChI=1S/C15H24O2/c1-9-4-5-12(11(3)8-16)14-6-10(2)15(17)7-13(9)14/h10-14,16H,1,4-8H2,2-3H3/t10-,11?,12-,13-,14-/m0/s1
InChIKey: InChIKey=DITQGYNPDBFKPS-YELUMKEJSA-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) | 44.4 |
| 2 (CH2) | 44.4 |
| 3 (C) | 213.2 |
| 4 (CH) | 47.8 |
| 5 (CH2) | 35.2 |
| 6 (CH) | 44.3 |
| 7 (CH) | 42.3 |
| 8 (CH2) | 26.2 |
| 9 (CH2) | 35.9 |
| 10 (C) | 150.7 |
| 11 (CH) | 39.3 |
| 12 (CH3) | 14.4 |
| 13 (CH2) | 66.7 |
| 14 (CH3) | 10.2 |
| 15 (CH2) | 105 |
