6,8-Diacetylharpagide 1-O-b-(2',3'-diacetylglucoside)

6,8-Diacetylharpagide 1-O-b-(2',3'-diacetylglucoside)

Common Name: 6,8-Diacetylharpagide 1-O-b-(2',3'-diacetylglucoside)

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C23H32O14/c1-10(25)32-15-8-22(5,37-13(4)28)19-21(31-7-6-23(15,19)30)36-20-18(34-12(3)27)17(33-11(2)26)16(29)14(9-24)35-20/h6-7,14-21,24,29-30H,8-9H2,1-5H3/t14-,15-,16-,17+,18-,19-,20+,21+,22+,23-/m1/s1

InChIKey: InChIKey=BFMGZCVIYFGKLI-FTYRJUGBSA-N

Formula: C23H32O14

Molecular Weight: 532.492699

Exact Mass: 532.179206

NMR Solvent: CDDl3 + DMSO-d6

MHz:

Calibration:

NMR references: 13C - Manguro, L.O., Wagai, S.O., Lemmen, P. Phytochemistry (2006) 67, 830-7

Species:

Notes: Family : Terpenoids, Type : Monoterpenoids, Group : Iridoids; 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) 95.4
3 (CH) 143.7
4 (CH) 107.2
5 (C) 73.3
6 (CH) 80
7 (CH2) 46.9
8 (C) 89
9 (CH) 55.2
10 (CH3) 22.8
1' (CH) 98.9
2' (CH) 74
3' (CH) 76.6
4' (CH) 71.2
5' (CH) 76.9
6' (CH2) 62.4
6a (C) 169.8
6b (CH3) 25
8a (C) 170
8b (CH3) 25.4
2'a (C) 170.1
2'b (CH3) 24.9
3'a (C) 171
3'b (CH3) 25