Vitas-M small molecule compound
(8xi,9xi,14xi,17xi,20xi,24xi)-stigmast-5-en-3-one
Catalog ID
STL564582
SMILES CCC(C(C)C)CCC(C1CCC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CCC(=O)C2)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 C29H48O MW 412.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,24-27H,7-9,11-18H2,1-6H3/t20?,21?,24?,25?,26?,27?,28-,29+/m0/s1InChIKey
KYOFIJXMVNQYFC-BCZOYAQRSA-NSynonyms
(10R13R)17(5ethyl6methylheptan2yl)1013dimethyl124789111214151617dodecahydrocyclopenta(a)phenanthren3one
(8S10R13R17R)17((2R5R)5ethyl6methylheptan2yl)1013dimethyl47891011121314151617dodecahydro1Hcyclopenta(a)phenanthren3(2H)one
(8xi9xi14xi17xi20xi24xi)stigmast5en3one
145705517
CC(C@@H)(C(C)C)CC(C@H)((C@H)1CCC2(C@)1(C)CCC1(C@H)2CC=C2(C@)1(C)CCC(=O)C2)C
InChI=1SC29H48Oc1721(19(2)3)9820(4)25121326241110221823(30)141628(225)27(24)151729(2526)6h1019212427H791118H216H3t20?21?24?25?26?27?2829+m0s1
ZINC000257469495
ZINC001848443645
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