Vitas-M small molecule compound
(3beta,5beta,9xi,17xi,22R,24xi)-2,3,14,20-tetrahydroxy-6,26-dioxo-26,28-epoxystigmast-7-en-22-yl acetate
Catalog ID
STL565361
SMILES CC(=O)O[C@@H]([C@@](C1CC[C@@]2([C@]1(C)CCC1C2=CC(=O)[C@H]2[C@]1(C)CC(O)[C@@H](C2)O)O)(O)C)CC1C(C)OC(=O)C1C
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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 C31H46O9 MW 562.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H46O9/c1-15-18(16(2)39-27(15)36)11-26(40-17(3)32)30(6,37)25-8-10-31(38)20-12-22(33)21-13-23(34)24(35)14-28(21,4)19(20)7-9-29(25,31)5/h12,15-16,18-19,21,23-26,34-35,37-38H,7-11,13-14H2,1-6H3/t15?,16?,18?,19?,21-,23+,24?,25?,26+,28+,29+,30+,31+/InChIKey
GFPSWBAAJFSDOH-WXKJYEQQSA-NSynonyms
866016-98-0((2R3R)1(24dimethyl5oxooxolan3yl)3hydroxy3((3R5R10R13R14S)2314trihydroxy1013dimethyl6oxo234591112151617decahydro1Hcyclopenta(a)phenanthren17yl)butan2yl)acetate
(2R3R)1(24dimethyl5oxotetrahydrofuran3yl)3hydroxy3((3R5R10R13R14S)2314trihydroxy1013dimethyl6oxo2345691011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)butan2ylacetate
(3beta5beta9xi17xi22R24xi)231420tetrahydroxy626dioxo2628epoxystigmast7en22ylacetate
44662927
866016980
CC(=O)O(C@@H)((C@@)(C1CC(C@@)2((C@)1(C)CCC1C2=CC(=O)(C@H)2(C@)1(C)CC(O)(C@@H)(C2)O)O)(O)C)CC1C(C)OC(=O)C1C
InChI=1SC31H46O9c11518(16(2)3927(15)36)1126(4017(3)32)30(637)2581031(38)201222(33)211323(34)24(35)1428(214)19(20)7929(2531)5h121516181921232634353738H7111314H216H3t15?16?18?19?2123+24?25?26+28+29+30+31+m0s1
MFCD32651644
ZINC000253504904
ZINC000253504916
Check stock
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