(1E,3S,5S)-1,7-Diphenyl-1-heptene-3,5-diol

(1E,3S,5S)-1,7-Diphenyl-1-heptene-3,5-diol

Common Name: (1E,3S,5S)-1,7-Diphenyl-1-heptene-3,5-diol

Synonyms:

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+/m0/s1

InChIKey: InChIKey=YSRHCYXKOMRFPK-VJKINUSGSA-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) 31.12
2 (CH2) 39.7
3 (CH) 70.69
4 (CH2) 43.38
5 (CH) 73.76
6 (CH) 131.85
7 (CH) 130.19
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) 136.5
2'' (CH) 126.52
3'' (CH) 128.44
4'' (CH) 127.81
5'' (CH) 128.44
6'' (CH) 126.52