Vitas-M small molecule compound
(8xi,9xi,14xi)-3,20-dioxopregna-1,4,16-triene-11,21-diyl diacetate
Catalog ID
STL525943
SMILES CC(=O)OC1C[C@]2(C)C(=CCC2C2C1[C@@]1(C)C=CC(=O)C=C1CC2)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 C25H30O6 MW 426.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30O6/c1-14(26)30-13-21(29)20-8-7-19-18-6-5-16-11-17(28)9-10-24(16,3)23(18)22(31-15(2)27)12-25(19,20)4/h8-11,18-19,22-23H,5-7,12-13H2,1-4H3/t18?,19?,22?,23?,24-,25-/m0/s1InChIKey
JZPSRZBVUXAFOV-XVLNSYLGSA-NSynonyms
(2((10~(R)13~(S))11acetyloxy1013dimethyl3oxo678911121415octahydrocyclopenta(a)phenanthren17yl)2oxoethyl)acetate
(8xi9xi14xi)320dioxopregna1416triene1121diyldiacetate
135639106
2((8S9S10R11S13S14S)11acetoxy1013dimethyl3oxo6789101112131415decahydro3Hcyclopenta(a)phenanthren17yl)2oxoethylacetate
CC(=O)O(C@H)1C(C@)2(C)C(=CC(C@H)2(C@H)2(C@H)1(C@@)1(C)C=CC(=O)C=C1CC2)C(=O)COC(=O)C
InChI=1SC25H30O6c114(26)301321(29)2087191865161117(28)91024(163)23(18)22(3115(2)27)1225(1920)4h81118192223H571213H214H3t18?19?22?23?2425m0s1
MFCD01544468
ZINC001772492046
ZINC001772492049
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