Vitas-M small molecule compound

17-hydroxy-3,11,20-trioxopregna-1,4-dien-21-yl acetate

Catalog ID
STL372849
SMILES CC(=O)OCC(=O)C1(O)CCC2C1(C)CC(=O)C1C2CCC2=CC(=O)C=CC12C

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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 C23H28O6 MW 400.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h6,8,10,16-17,20,28H,4-5,7,9,11-12H2,1-3H3
InChIKey
MOVRKLZUVNCBIP-UHFFFAOYSA-N
Synonyms
125-10-0
(2(17hydroxy1013dimethyl311dioxo678912141516octahydrocyclopenta(a)phenanthren17yl)2oxoethyl)acetate
125100
17hydroxy31120trioxopregna14dien21ylacetate
CC(=O)OCC(=O)C1(CCC2C1(CC(=O)C3C2CCC4=CC(=O)C=CC34C)C)O
InChI=1SC23H28O6c113(24)291219(27)23(28)97171654141015(25)6821(142)20(16)18(26)1122(1723)3h681016172028H45791112H213H3
MFCD00200229
MFCD00669370
ZINC000004655340
ZINC000253497578

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.