Spektraris NMR
(1S)-2alpha-[(R)-1-Phenylallyl]-5beta-methoxycyclohexane-1alpha,4beta-diol
![(1S)-2alpha-[(R)-1-Phenylallyl]-5beta-methoxycyclohexane-1alpha,4beta-diol](/nmr/static/nmr/svg/8434.svg)
Common Name: (1S)-2alpha-[(R)-1-Phenylallyl]-5beta-methoxycyclohexane-1alpha,4beta-diol
Synonyms: (1S)-2alpha-[(R)-1-Phenylallyl]-5beta-methoxycyclohexane-1alpha,4beta-diol
CAS Registry Number:
InChI: InChI=1S/C16H22O3/c1-3-12(11-7-5-4-6-8-11)13-9-15(18)16(19-2)10-14(13)17/h3-8,12-18H,1,9-10H2,2H3/t12-,13-,14-,15+,16-/m0/s1
InChIKey: InChIKey=ALWFGDVUNCQWQU-GVRJEKJASA-N
Formula: C16H22O3
Molecular Weight: 262.344686
Exact Mass: 262.156895
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Awale, S., Shrestha, S.P., Tezuka, Y., Ueda, J.Y., Matsushige, K., Kadota, S. J Nat Prod (2005) 68, 858-64
Species:
Notes: Family : Flavonoids, Type : Neoflavonoids, Group : ; 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 |
|---|---|
| 2 (CH2) | 117.9 |
| 3 (CH) | 141.2 |
| 4 (CH) | 52.7 |
| 5 (CH2) | 28.6 |
| 6 (CH) | 65.5 |
| 7 (CH) | 76.5 |
| 8 (CH2) | 32.7 |
| 9 (CH) | 67.1 |
| 10 (CH) | 38.2 |
| 1' (C) | 142.9 |
| 2' (CH) | 128.6 |
| 3' (CH) | 127.4 |
| 4' (CH) | 126.3 |
| 5' (CH) | 127.4 |
| 6' (CH) | 128.6 |
| 7a (CH3) | 55.9 |
