(-)-2-geranyl-3-hydroxy-8,9-ethylenedioxypterocarpan

(-)-2-geranyl-3-hydroxy-8,9-ethylenedioxypterocarpan

Common Name: (-)-2-geranyl-3-hydroxy-8,9-ethylenedioxypterocarpan

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C26H28O5/c1-15(2)5-4-6-16(3)7-8-17-9-19-22(11-21(17)27)28-13-20-18-10-24-25(30-14-29-24)12-23(18)31-26(19)20/h5,7,9-12,20,26-27H,4,6,8,13-14H2,1-3H3/b16-7+/t20-,26-/m0/s1

InChIKey: InChIKey=GWPLWWRLEHMIPE-HPRYFGGTSA-N

Formula: C26H28O5

Molecular Weight: 420.498499

Exact Mass: 420.193674

NMR Solvent: C6D6

MHz:

Calibration:

NMR references: 13C - Vieira, N.C., Espindola, L.S., Santana, J.M., Veras, M.L., Pessoa, O.D.L., Pinheiro, S.M., Araujo, R.M.d., Limac, M.A.S., Silveira, E.R. Bioorg Med Chem (2008) 16, 1676

Species:

Notes: Family : Flavonoids, Type : Pterocarpanoids; 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) 132.7
2 (C) 122.1
3 (C) 156.4
4 (CH) 104.4
4a (C) 155.9
6 (CH2) 66.9
6a (CH) 41.1
6b (C) 118.9
7 (CH) 105.4
8 (C) 142.4
9 (C) 149
10 (CH) 94.3
10a (C) 155.4
11a (CH) 79.3
11b (C) 113.3
1' (CH2) 29.2
2' (CH) 123.2
3' (C) 137.7
4' (CH2) 40.3
5' (CH2) 27.2
6' (CH) 125
7' (C) 131.8
8' (CH3) 26.1
9' (CH3) 18
10' (CH3) 16.4
1'' (CH2) 101.5