Vitas-M small molecule compound
(8xi,9xi,14xi)-11,17-dihydroxy-20-(hydroxymethyl)pregna-4,20-dien-3-one
Catalog ID
STL524598
SMILES OCC(=C)[C@@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=CC(=O)CC[C@]12C
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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 C22H32O4 MW 360.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H32O4/c1-13(12-23)22(26)9-7-17-16-5-4-14-10-15(24)6-8-20(14,2)19(16)18(25)11-21(17,22)3/h10,16-19,23,25-26H,1,4-9,11-12H2,2-3H3/t16?,17?,18?,19?,20-,21-,22-/m0/s1InChIKey
FHMTWLTWUUIXDI-NNPHVMRHSA-NSynonyms
(10~(R)13~(S)17~(R))1117dihydroxy17(3hydroxyprop1en2yl)1013dimethyl267891112141516decahydro1~(H)cyclopenta(a)phenanthren3one
(10R13S17R)1117dihydroxy17(3hydroxyprop1en2yl)1013dimethyl67891011121314151617dodecahydro1Hcyclopenta(a)phenanthren3(2H)one
(8xi9xi14xi)1117dihydroxy20(hydroxymethyl)pregna420dien3one
16396035
InChI=1SC22H32O4c113(1223)22(26)97171654141015(24)6820(142)19(16)18(25)1121(1722)3h101619232526H1491112H223H3t16?17?18?19?202122m0s1
MFCD01547411
OCC(=C)(C@@)1(O)CCC2(C@)1(C)CC(O)C1C2CCC2=CC(=O)CC(C@)12C
ZINC000004026564
ZINC000253499340
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