Vitas-M small molecule compound

(5alpha,8xi,9xi,14xi,17xi)-3,20-dioxopregnan-21-yl acetate

Catalog ID
STL524793
SMILES O=C1CC[C@]2([C@H](C1)CCC1C2CC[C@]2(C1CCC2C(=O)COC(=O)C)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 C23H34O4 MW 374.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H34O4/c1-14(24)27-13-21(26)20-7-6-18-17-5-4-15-12-16(25)8-10-22(15,2)19(17)9-11-23(18,20)3/h15,17-20H,4-13H2,1-3H3/t15-,17?,18?,19?,20?,22-,23-/m0/s1
InChIKey
XEKDDLIAJWEAHP-XAPVWQLNSA-N
Synonyms

(2((5~(S)10~(S)13~(S))1013dimethyl3oxo12456789111214151617tetradecahydrocyclopenta(a)phenanthren17yl)2oxoethyl)acetate
(5alpha8xi9xi14xi17xi)320dioxopregnan21ylacetate
122169367
2((5S8R9S10S13S14S17S)1013dimethyl3oxohexadecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethylacetate
InChI=1SC23H34O4c114(24)271321(26)2076181754151216(25)81022(152)19(17)91123(1820)3h151720H413H213H3t1517?18?19?20?2223m0s1
MFCD01845325
O=C1CC(C@)2((C@H)(C1)CC(C@@H)1(C@@H)2CC(C@)2((C@H)1CC(C@@H)2C(=O)COC(=O)C)C)C
ZINC000005226928
ZINC000409413037

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Available files

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