Spektraris NMR
(1E,3S,5S)-3,5-Dihydroxy-1,7-diphenyl-1-heptene
Common Name: (1E,3S,5S)-3,5-Dihydroxy-1,7-diphenyl-1-heptene
Synonyms: (1E,3S,5S)-3,5-Dihydroxy-1,7-diphenyl-1-heptene
CAS Registry Number:
InChI: InChI=1S/C19H22O2/c20-18(13-11-16-7-3-1-4-8-16)15-19(21)14-12-17-9-5-2-6-10-17/h1-11,13,18-21H,12,14-15H2/b13-11+/t18-,19+/m1/s1
InChIKey: InChIKey=YSRHCYXKOMRFPK-SHVSIGCLSA-N
Formula: C19H22O2
Molecular Weight: 282.377488
Exact Mass: 282.16198
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ngo, K.S., Brown, G.D. Phytochemistry (1998) 47, 1117-23
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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 (CH2) | 31.72 |
| 2 (CH2) | 39.24 |
| 3 (CH) | 68.93 |
| 4 (CH2) | 42.67 |
| 5 (CH) | 71.73 |
| 6 (CH) | 131.76 |
| 7 (CH) | 130.13 |
| 1' (C) | 141.89 |
| 2' (CH) | 128.62 |
| 3' (CH) | 128.47 |
| 4' (CH) | 125.92 |
| 5' (CH) | 128.47 |
| 6' (CH) | 128.62 |
| 1'' (C) | 136.55 |
| 2'' (CH) | 126.5 |
| 3'' (CH) | 128.41 |
| 4'' (CH) | 127.73 |
| 5'' (CH) | 128.41 |
| 6'' (CH) | 126.5 |
