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Vitas-M small molecule compound

3-{[2,6-dideoxyhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl]oxy}-12,14-dihydroxycard-20(22)-enolide

Catalog ID
STL372822
SMILES O=C1OCC(=C1)C1CCC2(C1(C)C(O)CC1C2CCC2C1(C)CCC(C2)OC1CC(O)C(C(O1)C)OC1CC(O)C(C(O1)C)OC1CC(O)C(C(O1)C)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 C41H64O14 MW 780.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C41H64O14/c1-19-36(47)28(42)15-34(50-19)54-38-21(3)52-35(17-30(38)44)55-37-20(2)51-33(16-29(37)43)53-24-8-10-39(4)23(13-24)6-7-26-27(39)14-31(45)40(5)25(9-11-41(26,40)48)22-12-32(46)49-18-22/h12,19-21,23-31,33-38,42-45,47-48H,6-11,13-18H2,1-5H3
InChIKey
LTMHDMANZUZIPE-UHFFFAOYSA-N
Synonyms
1380169-08-3
12BETAHYDROXYDIGITOXIN
12HYDROXYDIGITOXIN
1380169083
3((26dideoxyhexopyranosyl(1>4)26dideoxyhexopyranosyl(1>4)26dideoxyhexopyranosyl)oxy)1214dihydroxycard20(22)enolide
3(3(5(5(45dihydroxy6methyloxan2yl)oxy4hydroxy6methyloxan2yl)oxy4hydroxy6methyloxan2yl)oxy1214dihydroxy1013dimethyl1234567891112151617tetradecahydrocyclopenta(a)phenanthren17yl)2Hfuran5one
3BETA((O26DIDEOXYBETADRIBOHEXOPYRANOSYL(14)O26DIDEOXYBETADRIBOHEXOPYRANOSYL(14)26DIDEOXYBETADRIBOHEXOPYRANOSYL)OXY)12BETA14DIHYDROXY5BETACARD20(22)ENOLIDE
CARDIOGOXIN
CARDIOXIN
CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CCC5(C(C4)CCC6C5CC(C7(C6(CCC7C8=CC(=O)OC8)O)C)O)C)C)C)O)O
CHLOROFORMICDIGITALIN
DIGITALISGLYCOSIDE
DIGOXIN96
DIGOXINNATIVELLE
HOMOLLESDIGITALIN
InChI=1SC41H64O14c11936(47)28(42)1534(5019)543821(3)5235(1730(38)44)553720(2)5133(1629(37)43)532481039(4)23(1324)672627(39)1431(45)40(5)25(91141(2640)48)221232(46)491822h1219212331333842454748H6111318H215H3
LANOXICAPS
LENOXICAPS
MFCD00066671
NATIGOXIN
NEODIOXANIN
O=C1OCC(=C1)(C@H)1CC(C@)2((C@)1(C)(C@H)(O)C(C@H)1(C@H)2CC(C@@H)2(C@)1(C)CC(C@@H)(C2)O(C@H)1C(C@H)(O)C((C@H)(O1)C)OC1C(C@H)(O)C((C@H)(O1)C)OC1C(C@H)(O)(C@@H)((C@H)(O1)C)O)O
SKDIGOXIN
ZINC000253504760
ZINC000253504772

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.

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