Vitas-M small molecule compound
(8xi,9xi,14xi,17xi)-3,20-dioxopregn-4-en-21-yl 3-phenylpropanoate
Catalog ID
STL524765
SMILES O=C(CCc1ccccc1)OCC(=O)C1CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C
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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 C30H38O4 MW 462.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H38O4/c1-29-16-14-22(31)18-21(29)9-10-23-24-11-12-26(30(24,2)17-15-25(23)29)27(32)19-34-28(33)13-8-20-6-4-3-5-7-20/h3-7,18,23-26H,8-17,19H2,1-2H3/t23?,24?,25?,26?,29-,30-/m0/s1InChIKey
WPQKMAWYKDSBAX-DNRJYWFPSA-NSynonyms
(2((10~(R)13~(S))1013dimethyl3oxo126789111214151617dodecahydrocyclopenta(a)phenanthren17yl)2oxoethyl)3phenylpropanoate
(8xi9xi14xi17xi)320dioxopregn4en21yl3phenylpropanoate
75366901
InChI=1SC30H38O4c129161422(31)1821(29)9102324111226(30(242)171525(23)29)27(32)193428(33)138206435720h37182326H81719H212H3t23?24?25?26?2930m0s1
MFCD01546475
ZINC000252680151
ZINC000253534222
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