Vitas-M small molecule compound
(8xi,9beta,11beta,14xi)-17-hydroxy-3,20-dioxo-9,11-epoxypregna-1,4-dien-21-yl acetate
Catalog ID
STL524596
SMILES CC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)C[C@H]1O[C@@]31C2CCC1=CC(=O)C=C[C@]31C
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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 C23H28O6 MW 400.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28O6/c1-13(24)28-12-18(26)22(27)9-7-16-17-5-4-14-10-15(25)6-8-20(14,2)23(17)19(29-23)11-21(16,22)3/h6,8,10,16-17,19,27H,4-5,7,9,11-12H2,1-3H3/t16?,17?,19-,20-,21-,22-,23+/m0/s1InChIKey
DBNHODAAFAHQNY-PNZAZEBQSA-NSynonyms
(2((1~(S)2~(S)14~(R)15~(S)17~(S))14hydroxy215dimethyl5oxo18oxapentacyclo(8800^(117)0^(27)0^(1115))octadeca36dien14yl)2oxoethyl)acetate
(8xi9beta11beta14xi)17hydroxy320dioxo911epoxypregna14dien21ylacetate
135638959
2((4aS4bS5aS6aS7R9aS9bS)7hydroxy4a6adimethyl2oxo24a5a66a7899a9b1011dodecahydrocyclopenta(12)phenanthro(44ab)oxiren7yl)2oxoethylacetate
CC(=O)OCC(=O)(C@@)1(O)CC(C@@H)2(C@)1(C)C(C@@H)1O(C@@)31(C@H)2CCC1=CC(=O)C=C(C@)31C
InChI=1SC23H28O6c113(24)281218(26)22(27)97161754141015(25)6820(142)23(17)19(2923)1121(1622)3h681016171927H45791112H213H3t16?17?1920212223+m0s1
MFCD01546577
ZINC000004082597
ZINC000005383227
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