Nortrachelogenin 8'-O-b-D-glucopyranoside

Nortrachelogenin 8'-O-b-D-glucopyranoside

Common Name: Nortrachelogenin 8'-O-b-D-glucopyranoside

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C26H32O12/c1-34-18-8-13(3-5-16(18)28)7-15-12-36-25(33)26(15,10-14-4-6-17(29)19(9-14)35-2)38-24-23(32)22(31)21(30)20(11-27)37-24/h3-6,8-9,15,20-24,27-32H,7,10-12H2,1-2H3/t15-,20+,21+,22-,23+,24-,26-/m0/s1

InChIKey: InChIKey=YAVQULWQXQRTKS-KOFHWYBRSA-N

Formula: C26H32O12

Molecular Weight: 536.526097

Exact Mass: 536.189376

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) 129.7
2 (CH) 112.6
3 (C) 147.4
4 (C) 144.8
5 (CH) 115.3
6 (CH) 120.5
7 (CH2) 29.7
8 (CH) 44
9 (CH2) 70
1' (C) 126.2
2' (CH) 114.5
3' (C) 147.2
4' (C) 145.2
5' (CH) 115.2
6' (CH) 122.7
7' (CH2) 37.1
8' (C) 81.2
9' (C) 174.4
1'' (CH) 98.2
2'' (CH) 73.4
3'' (CH) 77.2
4'' (CH) 70.1
5'' (CH) 76.4
6'' (CH2) 61.1
3a (CH3) 55.4
3'a (CH3) 55.3