Vitas-M small molecule compound
ethyl (8xi,9xi,14xi,17xi,20xi)-3-oxochol-4-en-24-oate
Catalog ID
STL524502
SMILES CCOC(=O)CCC(C1CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C)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 C26H40O3 MW 400.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H40O3/c1-5-29-24(28)11-6-17(2)21-9-10-22-20-8-7-18-16-19(27)12-14-25(18,3)23(20)13-15-26(21,22)4/h16-17,20-23H,5-15H2,1-4H3/t17?,20?,21?,22?,23?,25-,26+/m0/s1InChIKey
MRTBVEZPPZIQIP-UTUHAJLCSA-NSynonyms
16395794
CCOC(=O)CCC(C1CCC2(C@)1(C)CCC1C2CCC2=CC(=O)CC(C@)12C)C
ethyl(8xi9xi14xi17xi20xi)3oxochol4en24oate
ethyl4((10~(R)13~(R))1013dimethyl3oxo126789111214151617dodecahydrocyclopenta(a)phenanthren17yl)pentanoate
ethyl4((10R13R)1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)pentanoate
InChI=1SC26H40O3c152924(28)11617(2)21910222087181619(27)121425(183)23(20)131526(2122)4h16172023H515H214H3t17?20?21?22?23?2526+m0s1
MFCD01546394
ZINC000002116417
ZINC000253499710
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