Vitas-M small molecule compound
(8xi,9xi,14xi,17xi,20xi,22E,24xi)-stigmasta-5,22-dien-3-yl acetate
Catalog ID
STL564679
SMILES CCC(C(C)C)/C=C/C(C1CCC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CCC(C2)OC(=O)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 C31H50O2 MW 454.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H50O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h9-11,20-21,23,25-29H,8,12-19H2,1-7H3/b10-9+/t21?,23?,25?,26?,27?,28?,29?,30-,31+/m0/s1InChIKey
IZEUIYYDWBKERE-GZTWKLRQSA-NSynonyms
((10R13R)17((E)5ethyl6methylhept3en2yl)1013dimethyl234789111214151617dodecahydro1Hcyclopenta(a)phenanthren3yl)acetate
(3S8S10R13R17R)17((2R5SE)5ethyl6methylhept3en2yl)1013dimethyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3ylacetate
(8xi9xi14xi17xi20xi22E24xi)stigmasta522dien3ylacetate
145705530
CC(C@@H)(C(C)C)C=C(C@H)((C@H)1CCC2(C@)1(C)CCC1(C@H)2CC=C2(C@)1(C)CC(C@@H)(C2)OC(=O)C)C
InChI=1SC31H50O2c1823(20(2)3)10921(4)27131428261211241925(3322(5)32)151730(246)29(26)161831(2728)7h9112021232529H81219H217H3b109+t21?23?25?26?27?28?29?3031+m0s1
ZINC001848443612
ZINC001848443615
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