Vitas-M small molecule compound
(8xi,9xi,14xi,17xi,20xi,22E,24xi)-3-propoxystigmasta-5,22-diene
Catalog ID
STK676009
SMILES CCCOC1CC[C@]2(C(=CCC3C2CC[C@]2(C3CCC2C(/C=C/C(C(C)C)CC)C)C)C1)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 C32H54O MW 454.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H54O/c1-8-20-33-26-16-18-31(6)25(21-26)12-13-27-29-15-14-28(32(29,7)19-17-30(27)31)23(5)10-11-24(9-2)22(3)4/h10-12,22-24,26-30H,8-9,13-21H2,1-7H3/b11-10+/t23?,24?,26?,27?,28?,29?,30?,31-,32+/m0/s1InChIKey
KIPSMTPEMGYLOP-HJFSRHBZSA-NSynonyms
(10R13R)17((E)5ethyl6methylhept3en2yl)1013dimethyl3propoxy234789111214151617dodecahydro1Hcyclopenta(a)phenanthrene
(8XI9XI14XI17XI20XI22E24XI)3PROPOXYSTIGMASTA522DIENE
CCCOC1CC(C@)2(C(=CCC3C2CC(C@)2(C3CCC2C(C=CC(C(C)C)CC)C)C)C1)C
CCCOC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)C=CC(CC)C(C)C)C)C
InChI=1SC32H54Oc18203326161831(6)25(2126)12132729151428(32(297)191730(27)31)23(5)101124(92)22(3)4h101222242630H891321H217H3b1110+t23?24?26?27?28?29?30?3132+m0s1
ZINC000253620530
ZINC000253620533
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