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Vitas-M small molecule compound

3-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-en-1-yl)-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside

Catalog ID
STK801622
SMILES COc1ccc(cc1)c1oc2c(CC=C(C)C)c(O[C@@H]3O[C@H](CO)[C@H]([C@@H]([C@H]3O)O)O)cc(c2c(=O)c1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C33H40O15 MW 676.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H40O15/c1-13(2)5-10-17-19(45-33-28(42)26(40)23(37)20(12-34)46-33)11-18(35)21-24(38)31(48-32-27(41)25(39)22(36)14(3)44-32)29(47-30(17)21)15-6-8-16(43-4)9-7-15/h5-9,11,14,20,22-23,25-28,32-37,39-42H,10,12H2,1-4H3/t14-,20+,22-,23+,25+,26-,27+,28+
InChIKey
TZJALUIVHRYQQB-XLRXWWTNSA-N
Synonyms
489-32-7
3((6deoxyalphaLmannopyranosyl)oxy)5hydroxy2(4methoxyphenyl)8(3methylbut2en1yl)4oxo4Hchromen7ylbetaDglucopyranoside
3((6DEOXYALPHALMANNOPYRANOSYL)OXY)7(BETADGLUCOPYRANOSYLOXY)5HYDROXY2(4METHOXYPHENYL)8(3METHYL2BUTEN1YL)4H1BENZOPYRAN4ONE
3((6DEOXYMANNOPYRANOSYL)OXY)7(GLUCOPYRANOSYLOXY)5HYDROXY2(4METHOXYPHENYL)8(3METHYL2BUTENYL)4H1BENZOPYRAN4ONE
489327
4H1BENZOPYRAN4ONE3((6DEOXYALPHALMANNOPYRANOSYL)OXY)7(BETADGLUCOPYRANOSYLOXY)5HYDROXY2(4METHOXYPHENYL)8(3METHYL2BUTENYL)
4OMETHYL8GAMMAGAMMADIMETHYLALLYLKAEMPFEROL3RHAMNOSIDE7GLUCOSIDE
5HYDROXY2(4METHOXYPHENYL)8(3METHYLBUT2EN1YL)7(((2S3R4S5S6R)345TRIHYDROXY6(HYDROXYMETHYL)OXAN2YL)OXY)3(((2S3R4R5R6S)345TRIHYDROXY6METHYLOXAN2YL)OXY)4HCHROMEN4ONE
5HYDROXY2(4METHOXYPHENYL)8(3METHYLBUT2EN1YL)7(((2S3R4S5S6R)345TRIHYDROXY6(HYDROXYMETHYL)TETRAHYDRO2HPYRAN2YL)OXY)3(((2S3R4R5R6S)345TRIHYDROXY6METHYLTETRA
5HYDROXY2(4METHOXYPHENYL)8(3METHYLBUT2ENYL)7((2S3R4S5S6R)345TRIHYDROXY6(HYDROXYMETHYL)OXAN2YL)OXY3((2S3R4R5R6S)345TRIHYDROXY6METHYLOXAN2YL)OXYCHROMEN4ONE
5HYDROXY2(4METHOXYPHENYL)8(3METHYLBUT2ENYL)7((2S3R4S5S6R)345TRIHYDROXY6(HYDROXYMETHYL)TETRAHYDROPYRAN2YL)OXY3((2S3R4R5R6S)345TRIHYDROXY6METHYLTETRAHYDROPYRAN2YL)OXYCHROMEN4ONE
CC1C(C(C(C(O1)OC2=C(OC3=C(C2=O)C(=CC(=C3CC=C(C)C)OC4C(C(C(C(O4)CO)O)O)O)O)C5=CC=C(C=C5)OC)O)O)O
COc1ccc(cc1)c1oc2c(CC=C(C)C)c(O(C@@H)3O(C@H)(CO)(C@H)((C@@H)((C@H)3O)O)O)cc(c2c(=O)c1O(C@@H)1O(C@@H)(C)(C@@H)((C@H)((C@H)1O)O)O)O
HYDRO2HPYRAN2YL)OXY)4HCHROMEN4ONE
ICARIIN
InChI=1SC33H40O15c113(2)5101719(453328(42)26(40)23(37)20(1234)4633)1118(35)2124(38)31(483227(41)25(39)22(36)14(3)4432)29(4730(17)21)156816(434)9715h591114202223252832373942H1012H214H3t1420+2223+25+2627+28+3233+m0s1
MFCD00210516
ZINC000003960893
ZINC03960893
ZINC3960893

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Available files

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