3,4,5,6-Tetradehydrogeissoschizine-17-O-b-D-glucopyranoside

3,4,5,6-Tetradehydrogeissoschizine-17-O-b-D-glucopyranoside

Common Name: 3,4,5,6-Tetradehydrogeissoschizine-17-O-b-D-glucopyranoside

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C27H30N2O8/c1-3-14-11-29-9-8-16-15-6-4-5-7-19(15)28-22(16)20(29)10-17(14)18(26(34)35-2)13-36-27-25(33)24(32)23(31)21(12-30)37-27/h3-9,13,17,21,23-25,27,30-33H,10-12H2,1-2H3/b14-3-,18-13+/t17-,21+,23+,24-,25+,27+/m0/s1

InChIKey: InChIKey=RQOSKKZXFRIGDC-FWWAYKISSA-N

Formula: C27H30N2O8

Molecular Weight: 510.536817

Exact Mass: 510.200216

NMR Solvent: CD3OD

MHz:

Calibration:

NMR references: 13C - Wachsmuth O., Matusch R. Phytochemistry (2002) 61, 705-9

Species:

Notes: Family : Alkaloids, Type : Ajmalicines; 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
2 (C) 135.3
3 (C) 141.9
5 (CH) 133
6 (CH) 116.8
7 (C) 132.7
8 (C) 121.6
9 (CH) 124.1
10 (CH) 123.1
11 (CH) 132.8
12 (CH) 113.8
13 (C) 145.4
14 (CH2) 30.2
15 (CH) 31.6
16 (C) 113.9
17 (CH) 157.8
18 (CH3) 14.1
19 (CH) 127.5
20 (C) 133.7
21 (CH2) 62.4
22 (C) 168.7
1' (CH) 105.1
2' (CH) 74.6
3' (CH) 77.9
4' (CH) 71.1
5' (CH) 78.9
6' (CH2) 63.1
22a (CH3) 52.1