Vitas-M small molecule compound
(8xi,9xi,14xi)-17-hydroxy-3,11,20-trioxopregna-1,4-dien-21-yl benzoate
Catalog ID
STL525122
SMILES O=C1C=C[C@]2(C(=C1)CCC1C2C(=O)C[C@]2(C1CC[C@]2(O)C(=O)COC(=O)c1ccccc1)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 C28H30O6 MW 462.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30O6/c1-26-12-10-19(29)14-18(26)8-9-20-21-11-13-28(33,27(21,2)15-22(30)24(20)26)23(31)16-34-25(32)17-6-4-3-5-7-17/h3-7,10,12,14,20-21,24,33H,8-9,11,13,15-16H2,1-2H3/t20?,21?,24?,26-,27-,28-/m0/s1InChIKey
LKBOAVLENJUIHT-LCZIBAPASA-NSynonyms
(2((10~(R)13~(S)17~(R))17hydroxy1013dimethyl311dioxo678912141516octahydrocyclopenta(a)phenanthren17yl)2oxoethyl)benzoate
(8xi9xi14xi)17hydroxy31120trioxopregna14dien21ylbenzoate
135639022
2((8S9S10R13S14S17R)17hydroxy1013dimethyl311dioxo67891011121314151617dodecahydro3Hcyclopenta(a)phenanthren17yl)2oxoethylbenzoate
InChI=1SC28H30O6c126121019(29)1418(26)892021111328(3327(212)1522(30)24(20)26)23(31)163425(32)176435717h3710121420212433H8911131516H212H3t20?21?24?262728m0s1
MFCD01547328
O=C1C=C(C@)2(C(=C1)CC(C@@H)1(C@@H)2C(=O)C(C@)2((C@H)1CC(C@)2(O)C(=O)COC(=O)c1ccccc1)C)C
ZINC001772491597
ZINC001772491600
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