Vitas-M small molecule compound
ethyl (10R,13S,17R)-3-methoxy-10,13-dimethyl-5'-oxo-1,2,4',5',7,8,9,10,11,12,13,14,15,16-tetradecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-4'-carboxylate
Catalog ID
STL525697
SMILES CCOC(=O)C1C[C@]2(OC1=O)CCC1[C@]2(C)CCC2C1CC=C1[C@]2(C)CCC(=C1)OC
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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 C26H36O5 MW 428.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H36O5/c1-5-30-22(27)19-15-26(31-23(19)28)13-10-21-18-7-6-16-14-17(29-4)8-11-24(16,2)20(18)9-12-25(21,26)3/h6,14,18-21H,5,7-13,15H2,1-4H3/t18?,19?,20?,21?,24-,25-,26+/m0/s1InChIKey
ISJDXRXJTVVHGY-WIAFXLKXSA-NSynonyms
(2R10R13S)ethyl3methoxy1013dimethyl5oxo124578910111213141516tetradecahydro3Hspiro(cyclopenta(a)phenanthrene172furan)4carboxylate
16396115
CCOC(=O)C1C(C@)2(OC1=O)CCC1(C@)2(C)CCC2C1CC=C1(C@)2(C)CCC(=C1)OC
ethyl(10~(R)13~(S)17~(R))3methoxy1013dimethyl2oxospiro(127891112141516decahydrocyclopenta(a)phenanthrene175oxolane)3carboxylate
ethyl(10R13S17R)3methoxy1013dimethyl5oxo124578910111213141516tetradecahydro3Hspiro(cyclopenta(a)phenanthrene172furan)4carboxylate
InChI=1SC26H36O5c153022(27)191526(3123(19)28)1310211876161417(294)81124(162)20(18)91225(2126)3h6141821H571315H214H3t18?19?20?21?242526+m0s1
MFCD01081534
ZINC000004026686
ZINC000253499505
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