BGC > Produktsuche > Carboxyatractyloside | 77228-71-8

Molecular Formula: C31H46O18S2
Hazard Symbols: T
UN Number: UN 2811 6.1 / PGI
WGKGermany: 3

Description:
Carboxyatractyloside is a highly selective inhibitor of cytosolic side-specific mitochondrial ADP/ATP carrier.

• Molecular Weight:770.81
• Purity:>98%

Molecular Formula:
C31H46O18S2
Canonical SMILES:
CC(C)CC(=O)OC1C(C(C(OC1OC2CC3(C4CCC5CC4(CCC3C(C2)(C(=O)O)C(=O)O)C(C5=C)O)C)CO)OS(=O)(=O)O)OS(=O)(=O)O
InChI:
InChI=1S/C31H46O18S2/c1-14(2)9-21(33)47-24-23(49-51(42,43)44)22(48-50(39,40)41)18(13-32)46-26(24)45-17-11-29(4)19-6-5-16-10-30(19,25(34)15(16)3)8-7-20(29)31(12-17,27(35)36)28(37)38/h14,16-20,22-26,32,34H,3,5-13H2,1-2,4H3,(H,35,36)(H,37,38)(H,39,40,41)(H,42,43,44)/t16-,17+,18-,19+,20+,22-,23+,24-,25+,26-,29+,30-/m1/s1
InChIKey:
AQFATIOBERWBDY-LNQSNDDKSA-N
Solubility:
Soluble in Water
Appearance:
White Solid
Storage: Store at -20°C
Synonyms:
Kaur-16-ene-18,19-dioic acid, 15-hydroxy-2-[[2-O-(3-methyl-1-oxobutyl)-3,4-di-O-sulfo-β-D-glucopyranosyl]oxy]-, (2β,15α)-; (2β,5β,8α,9β,10α,13α,15α)-15-Hydroxy-2-{[2-O-(3-methylbutanoyl)-3,4-di-O-sulfo-β-D-glucopyranosyl]oxy}kaur-16-ene-18,19-dioic acid; (2S,4aS,6aR,7S,9R,11aS,11bS)-7-hydroxy-2-(((2R,3R,4R,5R,6R)-6-(hydroxymethyl)-3-((3-methylbutanoyl)oxy)-4,5-bis(sulfooxy)tetrahydro-2H-pyran-2-yl)oxy)-11b-methyl-8-methylenedodecahydro-6a,9-methanocyclohepta[a]naphthalene-4,4(1H)-dicarboxylic acid; C 4992