Vitas-M small molecule compound

(8xi,9xi,14xi,17xi)-3,20-dioxopregn-4-en-21-yl benzoate

Catalog ID
STL525803
SMILES O=C1CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CCC2C(=O)COC(=O)c1ccccc1)C)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 C28H34O4 MW 434.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H34O4/c1-27-14-12-20(29)16-19(27)8-9-21-22-10-11-24(28(22,2)15-13-23(21)27)25(30)17-32-26(31)18-6-4-3-5-7-18/h3-7,16,21-24H,8-15,17H2,1-2H3/t21?,22?,23?,24?,27-,28-/m0/s1
InChIKey
RSZHYTMCURJIHZ-UJOLWACXSA-N
Synonyms

(2((10~(R)13~(S))1013dimethyl3oxo126789111214151617dodecahydrocyclopenta(a)phenanthren17yl)2oxoethyl)benzoate
(8xi9xi14xi17xi)320dioxopregn4en21ylbenzoate
135639090
2((8S9S10R13S14S17S)1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethylbenzoate
InChI=1SC28H34O4c127141220(29)1619(27)892122101124(28(222)151323(21)27)25(30)173226(31)186435718h37162124H81517H212H3t21?22?23?24?2728m0s1
MFCD01545537
O=C1CC(C@)2(C(=C1)CC(C@@H)1(C@@H)2CC(C@)2((C@H)1CC(C@@H)2C(=O)COC(=O)c1ccccc1)C)C
ZINC000504153359
ZINC001772491981

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Available files

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