Vitas-M small molecule compound
(8xi,9xi,10xi,13xi,14xi)-17-hydroxy-3,11,20-trioxopregn-4-en-21-yl acetate
Catalog ID
STL372644
SMILES CC(=O)OCC(=O)[C@@]1(O)CCC2C1(C)CC(=O)C1C2CCC2=CC(=O)CCC12C
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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 C23H30O6 MW 402.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H30O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h10,16-17,20,28H,4-9,11-12H2,1-3H3/t16?,17?,20?,21?,22?,23-/m0/s1InChIKey
ITRJWOMZKQRYTA-JIQBUDPMSA-NSynonyms
(2((17R)17hydroxy1013dimethyl311dioxo12678912141516decahydrocyclopenta(a)phenanthren17yl)2oxoethyl)acetate
(8xi9xi10xi13xi14xi)17hydroxy31120trioxopregn4en21ylacetate
2((8S9S10R13S14S17R)17hydroxy1013dimethyl311dioxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethylacetate
CC(=O)OCC(=O)(C@@)1(O)CC(C@@H)2(C@)1(C)CC(=O)(C@H)1(C@H)2CCC2=CC(=O)CC(C@)12C
CC(=O)OCC(=O)(C@@)1(O)CCC2C1(C)CC(=O)C1C2CCC2=CC(=O)CCC12C
CC(=O)OCC(=O)C1(CCC2C1(CC(=O)C3C2CCC4=CC(=O)CCC34C)C)O
InChI=1SC23H30O6c113(24)291219(27)23(28)97171654141015(25)6821(142)20(16)18(26)1122(1723)3h1016172028H491112H213H3t16?17?20?21?22?23m0s1
MFCD01533840
ZINC000003830605
ZINC000252488511
Check stock
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