Lapachol-1,4-di-O-β-D-glucopyranoside

Lapachol-1,4-di-O-β-D-glucopyranoside

Common Name: Lapachol-1,4-di-O-β-D-glucopyranoside

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C27H36O13/c1-11(2)7-8-14-17(30)25(40-27-23(36)21(34)19(32)16(10-29)38-27)13-6-4-3-5-12(13)24(14)39-26-22(35)20(33)18(31)15(9-28)37-26/h3-7,15-16,18-23,26-36H,8-10H2,1-2H3/t15-,16-,18-,19-,20+,21+,22-,23-,26+,27+/m1/s1

InChIKey: InChIKey=CSQAGHSISJPGCD-GIKBFHJQSA-N

Formula: C27H36O13

Molecular Weight: 568.568

Exact Mass: 568.215591

NMR Solvent: DMSO-d6

MHz:

Calibration:

NMR references: 13C - Chen, W., Tang, W., Zhang, R., Lou, L., Zhao, W. J Nat Prod (2007) 70, 567-70

Species:

Notes: Family : Aromatics, Type : Naphthalenes, Group : Naphthoquinones; 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) 135.4
2 (C) 145.3
3 (C) 124.7
4 (C) 147.1
5 (CH) 122.2
6 (CH) 122.5
7 (CH) 123.3
8 (CH) 125.8
9 (C) 127.9
10 (C) 121.8
1' (CH) 107
2' (CH) 72.4
3' (CH) 76.1
4' (CH) 69.6
5' (CH) 77.3
6' (CH2) 60.7
1'' (CH) 105
2'' (CH) 74.3
3'' (CH) 76.5
4'' (CH) 70
5'' (CH) 77.1
6'' (CH2) 61.2
3a (CH2) 24.3
3b (CH) 123.4
3c (C) 130.4
3d (CH3) 18.2
3ca (CH3) 25.7