Vitas-M small molecule compound
(5alpha,8xi,9xi,10xi,13xi,14xi)-20-oxopregn-16-en-3-yl 3-iodobenzoate
Catalog ID
STK687238
SMILES Ic1cccc(c1)C(=O)OC1CCC2([C@H](C1)CCC1C2CCC2(C1CC=C2C(=O)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 C28H35IO3 MW 546.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H35IO3/c1-17(30)23-9-10-24-22-8-7-19-16-21(32-26(31)18-5-4-6-20(29)15-18)11-13-27(19,2)25(22)12-14-28(23,24)3/h4-6,9,15,19,21-22,24-25H,7-8,10-14,16H2,1-3H3/t19-,21?,22?,24?,25?,27?,28?/m0/s1InChIKey
KOUIOTCBGZWINU-RWDDJHSYSA-NSynonyms
((5S)17acetyl1013dimethyl2345678911121415dodecahydro1Hcyclopenta(a)phenanthren3yl)3iodobenzoate
(5alpha8xi9xi10xi13xi14xi)20oxopregn16en3yl3iodobenzoate
CC(=O)C1=CCC2C1(CCC3C2CCC4C3(CCC(C4)OC(=O)C5=CC(=CC=C5)I)C)C
Ic1cccc(c1)C(=O)OC1CCC2((C@H)(C1)CCC1C2CCC2(C1CC=C2C(=O)C)C)C
InChI=1SC28H35IO3c117(30)23910242287191621(3226(31)1854620(29)1518)111327(192)25(22)121428(2324)3h469151921222425H78101416H213H3t1921?22?24?25?27?28?m0s1
MFCD18246943
ZINC000253506136
ZINC000253506152
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