Vitas-M small molecule compound
(8xi,9xi,14xi)-21-hydroxy-3,20-dioxopregn-4-en-17-yl acetate
Catalog ID
STL524479
SMILES OCC(=O)[C@]1(CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C)OC(=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 C23H32O5 MW 388.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H32O5/c1-14(25)28-23(20(27)13-24)11-8-19-17-5-4-15-12-16(26)6-9-21(15,2)18(17)7-10-22(19,23)3/h12,17-19,24H,4-11,13H2,1-3H3/t17?,18?,19?,21-,22-,23-/m0/s1InChIKey
MNQKQGFLLDOCEI-SORVZPOVSA-NSynonyms
((10~(R)13~(S)17~(R))17(2hydroxyacetyl)1013dimethyl3oxo267891112141516decahydro1~(H)cyclopenta(a)phenanthren17yl)acetate
(8R9S10R13S14S17R)17(2hydroxyacetyl)1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17ylacetate
(8xi9xi14xi)21hydroxy320dioxopregn4en17ylacetate
135638947
InChI=1SC23H32O5c114(25)2823(20(27)1324)118191754151216(26)6921(152)18(17)71022(1923)3h12171924H41113H213H3t17?18?19?212223m0s1
MFCD01544642
OCC(=O)(C@)1(CC(C@@H)2(C@)1(C)CC(C@H)1(C@H)2CCC2=CC(=O)CC(C@)12C)OC(=O)C
ZINC000005383284
ZINC000253530555
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