Vitas-M small molecule compound
methyl (8xi,9xi,14xi,16alpha)-21-(acetyloxy)-16,17-dihydroxy-3,20-dioxopregna-1,4-diene-11-carboxylate
Catalog ID
STL566242
SMILES COC(=O)C1C[C@@]2(C)C(C3C1[C@@]1(C)C=CC(=O)C=C1CC3)C[C@H]([C@]2(O)C(=O)COC(=O)C)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 C25H32O8 MW 460.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H32O8/c1-13(26)33-12-20(29)25(31)19(28)10-18-16-6-5-14-9-15(27)7-8-23(14,2)21(16)17(22(30)32-4)11-24(18,25)3/h7-9,16-19,21,28,31H,5-6,10-12H2,1-4H3/t16?,17?,18?,19-,21?,23+,24+,25+/m1/s1InChIKey
FWGVCVCJDQRSGJ-LMZVAFSFSA-NSynonyms
(8S9R10R13S14S16R17S)methyl17(2acetoxyacetyl)1617dihydroxy1013dimethyl3oxo67891011121314151617dodecahydro3Hcyclopenta(a)phenanthrene11carboxylate
145705593
COC(=O)C1C(C@@)2(C)(C@H)((C@H)3(C@H)1(C@@)1(C)C=CC(=O)C=C1CC3)C(C@H)((C@)2(O)C(=O)COC(=O)C)O
InChI=1SC25H32O8c113(26)331220(29)25(31)19(28)1018166514915(27)7823(142)21(16)17(22(30)324)1124(1825)3h791619212831H561012H214H3t16?17?18?1921?23+24+25+m1s1
methyl(10R13S16R17S)17(2acetyloxyacetyl)1617dihydroxy1013dimethyl3oxo7891112141516octahydro6Hcyclopenta(a)phenanthrene11carboxylate
methyl(8xi9xi14xi16alpha)21(acetyloxy)1617dihydroxy320dioxopregna14diene11carboxylate
ZINC001848443840
ZINC001848443843
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