Vitas-M small molecule compound
(8xi,9xi,14xi)-17-hydroxy-3,20-dioxopregn-4-en-21-yl benzoate
Catalog ID
STL524461
SMILES O=C1CC[C@]2(C(=C1)CCC1C2CC[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 C28H34O5 MW 450.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H34O5/c1-26-13-10-20(29)16-19(26)8-9-21-22(26)11-14-27(2)23(21)12-15-28(27,32)24(30)17-33-25(31)18-6-4-3-5-7-18/h3-7,16,21-23,32H,8-15,17H2,1-2H3/t21?,22?,23?,26-,27-,28-/m0/s1InChIKey
NGKJHXYXCSJQPB-OGJMHFDUSA-NSynonyms
(2((10~(R)13~(S)17~(R))17hydroxy1013dimethyl3oxo267891112141516decahydro1~(H)cyclopenta(a)phenanthren17yl)2oxoethyl)benzoate
(8xi9xi14xi)17hydroxy320dioxopregn4en21ylbenzoate
135638946
2((8R9S10R13S14S17R)17hydroxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethylbenzoate
InChI=1SC28H34O5c126131020(29)1619(26)892122(26)111427(2)23(21)121528(2732)24(30)173325(31)186435718h3716212332H81517H212H3t21?22?23?262728m0s1
MFCD01543364
O=C1CC(C@)2(C(=C1)CC(C@@H)1(C@@H)2CC(C@)2((C@H)1CC(C@)2(O)C(=O)COC(=O)c1ccccc1)C)C
ZINC001772491772
ZINC001772491775
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