Vitas-M small molecule compound
(5beta,8xi,9xi,11alpha,14xi,17xi)-3,20-dioxopregnan-11-yl acetate
Catalog ID
STL524726
SMILES O=C1CC[C@]2([C@@H](C1)CCC1C2[C@H](OC(=O)C)C[C@]2(C1CCC2C(=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/c1-13(24)18-7-8-19-17-6-5-15-11-16(26)9-10-22(15,3)21(17)20(27-14(2)25)12-23(18,19)4/h15,17-21H,5-12H2,1-4H3/t15-,17?,18?,19?,20-,21?,22+,23-/m1/s1InChIKey
ZZLUZIDJVCYWKL-NIFHZVCLSA-NSynonyms
((5~(R)10~(S)11~(R)13~(S))17acetyl1013dimethyl3oxo12456789111214151617tetradecahydrocyclopenta(a)phenanthren11yl)acetate
(5beta8xi9xi11alpha14xi17xi)320dioxopregnan11ylacetate
(5S8S10S11R13S17S)17acetyl1013dimethyl3oxohexadecahydro1Hcyclopenta(a)phenanthren11ylacetate
122170109
InChI=1SC23H34O4c113(24)1878191765151116(26)91022(153)21(17)20(2714(2)25)1223(1819)4h151721H512H214H3t1517?18?19?2021?22+23m1s1
MFCD01546468
O=C1CC(C@)2((C@H)(C1)CC(C@@H)1C2(C@H)(OC(=O)C)C(C@)2(C1CC(C@@H)2C(=O)C)C)C
ZINC000005383371
ZINC000409414684
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