Vitas-M small molecule compound
(8xi,9xi,10xi,13xi,14xi,16alpha)-17-hydroxy-16-methyl-3,20-dioxopregnan-21-yl acetate
Catalog ID
STK366328
SMILES O=C1CCC2(C(C1)CCC1C2CCC2(C1C[C@H]([C@]2(O)C(=O)COC(=O)C)C)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 C24H36O5 MW 404.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H36O5/c1-14-11-20-18-6-5-16-12-17(26)7-9-22(16,3)19(18)8-10-23(20,4)24(14,28)21(27)13-29-15(2)25/h14,16,18-20,28H,5-13H2,1-4H3/t14-,16?,18?,19?,20?,22?,23?,24+/m1/s1InChIKey
IAWKZZUGLFNRFG-LKXZRYNRSA-NSynonyms
(2((16R17R)17hydroxy101316trimethyl3oxo24567891112141516dodecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethyl)acetate
(8xi9xi10xi13xi14xi16alpha)17hydroxy16methyl320dioxopregnan21ylacetate
CC1CC2C3CCC4CC(=O)CCC4(C3CCC2(C1(C(=O)COC(=O)C)O)C)C
InChI=1SC24H36O5c11411201865161217(26)7922(163)19(18)81023(204)24(1428)21(27)132915(2)25h1416182028H513H214H3t1416?18?19?20?22?23?24+m1s1
MFCD02602450
O=C1CCC2(C(C1)CCC1C2CCC2(C1C(C@H)((C@)2(O)C(=O)COC(=O)C)C)C)C
ZINC000004015086
ZINC000253498094
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