Vitas-M small molecule compound
(2E,5alpha,8xi,9xi,14xi,17beta)-17-hydroxy-2-(hydroxymethylidene)-17-methylandrostan-3-one
Catalog ID
STK801982
SMILES O/C=C/1\C[C@@]2(C)[C@H](CC1=O)CCC1C2CC[C@]2(C1CC[C@]2(C)O)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 C21H32O3 MW 332.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H32O3/c1-19-11-13(12-22)18(23)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)24/h12,14-17,22,24H,4-11H2,1-3H3/b13-12+/t14-,15?,16?,17?,19-,20-,21-/m0/s1InChIKey
ICMWWNHDUZJFDW-XROWNTGZSA-NSynonyms
(2E5ALPHA8XI9XI14XI17BETA)17HYDROXY2(HYDROXYMETHYLIDENE)17METHYLANDROSTAN3ONE
(2E5S10S13S17S)17hydroxy2(hydroxymethylidene)101317trimethyl14567891112141516dodecahydrocyclopenta(a)phenanthren3one
CC12CCC3C(C1CCC2(C)O)CCC4C3(CC(=CO)C(=O)C4)C
InChI=1SC21H32O3c1191113(1222)18(23)1014(19)451516(19)6820(2)17(15)7921(203)24h1214172224H411H213H3b1312+t1415?16?17?192021m0s1
MFCD09843736
OC=C1C(C@@)2(C)(C@H)(CC1=O)CCC1C2CC(C@)2(C1CC(C@)2(C)O)C
ZINC000015894334
ZINC000253529470
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