Vitas-M small molecule compound
(8xi,9xi,14xi,17xi)-3-[(2,6-dideoxy-4-O-hexopyranosyl-3-O-methylhexopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide
Catalog ID
STL565352
SMILES COC1CC(OC2CC[C@]3(C(C2)(O)CCC2C3CC[C@]3(C2(O)CCC3C2=CC(=O)OC2)C)C=O)OC(C1OC1OC(CO)C(C(C1O)O)O)C
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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 C36H54O14 MW 710.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H54O14/c1-18-31(50-32-30(42)29(41)28(40)25(15-37)49-32)24(45-3)13-27(47-18)48-20-4-9-34(17-38)22-5-8-33(2)21(19-12-26(39)46-16-19)7-11-36(33,44)23(22)6-10-35(34,43)14-20/h12,17-18,20-25,27-32,37,40-44H,4-11,13-16H2,1-3H3/t18?,20?,21?,22?,23?,2InChIKey
FHIREUBIEIPPMC-YPZGHNHTSA-NSynonyms
(10S13R)514dihydroxy3(4methoxy6methyl5(345trihydroxy6(hydroxymethyl)oxan2yl)oxyoxan2yl)oxy13methyl17(5oxo2Hfuran3yl)23467891112151617dodecahydro1Hcyclopenta(a)phenanthrene10carbaldehyde
(8xi9xi14xi17xi)3((26dideoxy4Ohexopyranosyl3Omethylhexopyranosyl)oxy)514dihydroxy19oxocard20(22)enolide
44661998
CO(C@H)1C(C@H)(O(C@H)2CC(C@)3((C@)(C2)(O)CC(C@@H)2(C@@H)3CC(C@)3((C@)2(O)CC(C@@H)3C2=CC(=O)OC2)C)C=O)O(C@@H)(C1OC1O(C@H)(CO)(C@H)((C@@H)((C@H)1O)O)O)C
InChI=1SC36H54O14c11831(503230(42)29(41)28(40)25(1537)4932)24(453)1327(4718)48204934(1738)225833(2)21(191226(39)461619)71136(3344)23(22)61035(3443)1420h12171820252732374044H4111316H213H3t18?20?21?22?23?24?25?27?28?29?30?31?32?3334+35?36?m1s1
ZINC000253504836
ZINC000253504845
Check stock
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Check stock on Vitas-MAvailable files
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