Vitas-M small molecule compound
(8xi,9xi,14xi,17xi,20xi,22E,24xi)-ergosta-4,22-dien-3-one
Catalog ID
STL564567
SMILES CC(C(/C=C/C(C1CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C)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 C28H44O MW 396.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-8,17-20,23-26H,9-16H2,1-6H3/b8-7+/t19?,20?,23?,24?,25?,26?,27-,28+/m0/s1InChIKey
OWYXOXZSAKVGHJ-LLOVBHQPSA-NSynonyms
(10R13R)17((E)56dimethylhept3en2yl)1013dimethyl126789111214151617dodecahydrocyclopenta(a)phenanthren3one
(8S10R13R17R)17((2R5SE)56dimethylhept3en2yl)1013dimethyl67891011121314151617dodecahydro1Hcyclopenta(a)phenanthren3(2H)one
(8xi9xi14xi17xi20xi22E24xi)ergosta422dien3one
139291999
CC((C@@H)(C=C(C@H)((C@H)1CCC2(C@)1(C)CCC1(C@H)2CCC2=CC(=O)CC(C@)12C)C)C)C
InChI=1SC28H44Oc118(2)19(3)7820(4)2411122523109211722(29)131527(215)26(23)141628(2425)6h7817202326H916H216H3b87+t19?20?23?24?25?26?2728+m0s1
ZINC000256450186
ZINC001848443678
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