Vitas-M small molecule compound
(8xi,9xi,14xi)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl benzoate
Catalog ID
STL524786
SMILES O=C1CC[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 C28H34O6 MW 466.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H34O6/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/h3-7,14,20-22,24,30,33H,8-13,15-16H2,1-2H3/t20?,21?,22?,24?,26-,27-,28-/m0/s1InChIKey
XHRJCMVVIQIIGO-NLNAEBANSA-NSynonyms
(2((10~(R)13~(S)17~(R))1117dihydroxy1013dimethyl3oxo267891112141516decahydro1~(H)cyclopenta(a)phenanthren17yl)2oxoethyl)benzoate
(8xi9xi14xi)1117dihydroxy320dioxopregn4en21ylbenzoate
135638981
2((8S9S10R13S14S17R)1117dihydroxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethylbenzoate
InChI=1SC28H34O6c126121019(29)1418(26)892021111328(3327(212)1522(30)24(20)26)23(31)163425(32)176435717h37142022243033H8131516H212H3t20?21?22?24?262728m0s1
MFCD01545980
O=C1CC(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
ZINC001772491901
ZINC001772491909
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