Rabdosiin

Category	Human immunodeficiency Virus (HIV)
CAS	263397-69-9
Description	(+)-Rabdosiin is a natural compound showing anti-HIV activity, anti-allergic activity and inhibition on DNA topoisomerase.

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Synonyms	Rabdosiin;(+)-Rabdosiin;263397-69-9;(2S)-2-[(1S,2R)-3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-1-(3,4-dihydroxyphenyl)-6,7-dihydroxy-1,2-dihydronaphthalene-2-carbonyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid;(S)-2-(((1S,2R)-3-(((R)-1-Carboxy-2-(3,4-dihydroxyphenyl)ethoxy)carbonyl)-1-(3,4-dihydroxyphenyl)-6,7-dihydroxy-1,2-dihydronaphthalene-2-carbonyl)oxy)-3-(3,4-dihydroxyphenyl)propanoic acid;HY-N6880;AKOS040736433;DA-77319;MS-31225;CS-0100474;F82431;(2S)-2-[(1S,2R)-3-{[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl}-1-(3,4-dihydroxyphenyl)-6,7-dihydroxy-1,2-dihydronaphthalene-2-carbonyloxy]-3-(3,4-dihydroxyphenyl)propanoic acid;
IUPAC Name	(2S)-2-[(1S,2R)-3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-1-(3,4-dihydroxyphenyl)-6,7-dihydroxy-1,2-dihydronaphthalene-2-carbonyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid
Molecular Weight	475.6
Molecular Formula	C29H37N3O3
Canonical SMILES	CN(C)CCN(C)[C@@H]1CN2C3=C(C=CC(=C3)C(=O)O)C(=C2C4=CC=CC=C4OC1)C5CCCCC5
InChI	InChI=1S/C36H30O16/c37-21-4-1-15(7-24(21)40)9-29(33(45)46)51-35(49)20-11-18-13-27(43)28(44)14-19(18)31(17-3-6-23(39)26(42)12-17)32(20)36(50)52-30(34(47)48)10-16-2-5-22(38)25(41)8-16/h1-8,11-14,29-32,37-44H,9-10H2,(H,45,46)(H,47,48)/t29-,30+,31+,32+/m1/s1
InChIKey	VKWZFIDWHLCPHJ-ZLESDFJESA-N
Purity	0.98
Appearance	Solid
Storage	4°C, protect from light *In solvent : -80°C, 6 months; -20°C, 1 month (protect from light)