15-Oxapentacyclo[20.2.2.216,19.110,14.02,7]nonacosa-1(24),2,4,6,10(29),11,13,16,18,22,25,27-dodecaene-3,13,24-triol

15-Oxapentacyclo[20.2.2.216,19.110,14.02,7]nonacosa-1(24),2,4,6,10(29),11,13,16,18,22,25,27-dodecaene-3,13,24-triol

Common Name: 15-Oxapentacyclo[20.2.2.216,19.110,14.02,7]nonacosa-1(24),2,4,6,10(29),11,13,16,18,22,25,27-dodecaene-3,13,24-triol

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C28H24O4/c29-24-15-10-20-6-11-21-2-1-3-25(30)28(21)23-14-9-19(16-26(23)31)5-4-18-7-12-22(13-8-18)32-27(24)17-20/h1-3,7-10,12-17,29-31H,4-6,11H2

InChIKey: InChIKey=ZKRAPLUKBRYFFL-UHFFFAOYSA-N

Formula: C28H24O4

Molecular Weight: 424.488803

Exact Mass: 424.167459

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Bardon, A., Kamiya, N., Toyota, M., Takaoka, S., Asakawa, Y. Phytochemistry (1999) 52, 1323-9

Species:

Notes: Family : Aromatics, Type : Stilbenes; 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 (C) 137.2
2 (CH) 130.8
3 (CH) 121.7
4 (C) 153.2
5 (CH) 121.7
6 (CH) 130.3
α (CH2) 34.5
β (CH2) 36.1
1' (C) 143.3
2' (CH) 116.6
3' (C) 153.4
4' (C) 117
5' (CH) 130.5
6' (CH) 122.6
1'' (C) 133.6
2'' (CH) 114.7
3'' (C) 147.8
4'' (C) 143.6
5'' (CH) 114.6
6'' (CH) 121.6
α' (CH2) 38
β' (CH2) 36.5
1''' (C) 121.6
2''' (C) 120
3''' (C) 154
4''' (CH) 113.3
5''' (CH) 130.1
6''' (CH) 142.9