Vitas-M small molecule compound
(8xi,9xi,14xi)-17-hydroxy-3,20-dioxopregna-1,4-diene-11,21-diyl diacetate
Catalog ID
STL525039
SMILES CC(=O)OC1C[C@@]2(C)C(C3C1[C@@]1(C)C=CC(=O)C=C1CC3)CC[C@]2(O)C(=O)COC(=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 C25H32O7 MW 444.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H32O7/c1-14(26)31-13-21(29)25(30)10-8-19-18-6-5-16-11-17(28)7-9-23(16,3)22(18)20(32-15(2)27)12-24(19,25)4/h7,9,11,18-20,22,30H,5-6,8,10,12-13H2,1-4H3/t18?,19?,20?,22?,23-,24-,25-/m0/s1InChIKey
NTDDKQGHIJOKSN-JIQRNUPWSA-NSynonyms
(2((10~(R)13~(S)17~(R))11acetyloxy17hydroxy1013dimethyl3oxo7891112141516octahydro6~(H)cyclopenta(a)phenanthren17yl)2oxoethyl)acetate
(8xi9xi14xi)17hydroxy320dioxopregna14diene1121diyldiacetate
135639007
2((8S9S10R11S13S14S17R)11acetoxy17hydroxy1013dimethyl3oxo67891011121314151617dodecahydro3Hcyclopenta(a)phenanthren17yl)2oxoethylacetate
CC(=O)O(C@H)1C(C@@)2(C)(C@H)((C@H)3(C@H)1(C@@)1(C)C=CC(=O)C=C1CC3)CC(C@)2(O)C(=O)COC(=O)C
InChI=1SC25H32O7c114(26)311321(29)25(30)108191865161117(28)7923(163)22(18)20(3215(2)27)1224(1925)4h791118202230H568101213H214H3t18?19?20?22?232425m0s1
MFCD01544810
ZINC000605697833
ZINC001772491626
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