Vitas-M small molecule compound
(8xi,9xi,14xi)-17-hydroxy-3,11,20-trioxopregna-1,4-dien-21-yl propanoate
Catalog ID
STL525772
SMILES CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(=O)C1C2CCC2=CC(=O)C=C[C@]12C
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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 C24H30O6 MW 414.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H30O6/c1-4-20(28)30-13-19(27)24(29)10-8-17-16-6-5-14-11-15(25)7-9-22(14,2)21(16)18(26)12-23(17,24)3/h7,9,11,16-17,21,29H,4-6,8,10,12-13H2,1-3H3/t16?,17?,21?,22-,23-,24-/m0/s1InChIKey
SPIVOPLBPNOFTQ-HORUWZBBSA-NSynonyms
(2((10~(R)13~(S)17~(R))17hydroxy1013dimethyl311dioxo678912141516octahydrocyclopenta(a)phenanthren17yl)2oxoethyl)propanoate
(8xi9xi14xi)17hydroxy31120trioxopregna14dien21ylpropanoate
135639087
2((8S9S10R13S14S17R)17hydroxy1013dimethyl311dioxo67891011121314151617dodecahydro3Hcyclopenta(a)phenanthren17yl)2oxoethylpropionate
CCC(=O)OCC(=O)(C@@)1(O)CC(C@@H)2(C@)1(C)CC(=O)(C@H)1(C@H)2CCC2=CC(=O)C=C(C@)12C
InChI=1SC24H30O6c1420(28)301319(27)24(29)108171665141115(25)7922(142)21(16)18(26)1223(1724)3h791116172129H468101213H213H3t16?17?21?222324m0s1
MFCD01547137
ZINC000005428223
ZINC001772491987
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