Nortrachelogenin 5'-C-b-D-glucopyranoside

Nortrachelogenin 5'-C-b-D-glucopyranoside

Common Name: Nortrachelogenin 5'-C-b-D-glucopyranoside

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C26H32O13/c1-35-16-6-12(3-4-15(16)28)5-14-11-37-25(33)26(14,34)9-13-7-17(36-2)20(29)18(8-13)38-24-23(32)22(31)21(30)19(10-27)39-24/h3-4,6-8,14,19,21-24,27-32,34H,5,9-11H2,1-2H3/t14-,19+,21+,22-,23+,24+,26-/m0/s1

InChIKey: InChIKey=NSTZETKBXDKWCX-PKUQZDCDSA-N

Formula: C26H32O13

Molecular Weight: 552.525502

Exact Mass: 552.184291

NMR Solvent: DMSO-d6

MHz:

Calibration:

NMR references: 13C - Tan, X.Q., Chen, H.S., Liu, R.H., Tan, C.H., Xu, C.L., Xuan, W.D., Zhang, W.D. Planta Med (2005) 71, 93-5

Species:

Notes: Family : Lignans, Type : Lignans, Group : Dibenzylbutyrolactones; 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) 126.4
2 (CH) 114.5
3 (C) 147.2
4 (C) 145.2
5 (CH) 115.2
6 (CH) 122.7
7 (CH2) 30.8
8 (CH) 42.6
9 (CH2) 69.8
1' (C) 129
2' (CH) 111.3
3' (C) 147.3
4' (C) 142.9
5' (C) 126.4
6' (CH) 119.8
7' (CH2) 40.1
8' (C) 75.2
9' (C) 177.8
1'' (CH) 75.3
2'' (CH) 73.9
3'' (CH) 78.5
4'' (CH) 70.4
5'' (CH) 81.2
6'' (CH2) 61.4
3a (CH3) 55.7
3'a (CH3) 55.6