Vitas-M small molecule compound
4-(acetyloxy)-1,7,10,13-tetrahydroxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate
Catalog ID
STL565984
SMILES CC(=O)OC12COC1CC(C1(C2C(OC(=O)c2ccccc2)C2(O)CC(O)C(=C(C2(C)C)C(C1=O)O)C)C)O
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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 C29H36O10 MW 544.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H36O10/c1-14-17(31)12-29(36)24(38-25(35)16-9-7-6-8-10-16)22-27(5,23(34)21(33)20(14)26(29,3)4)18(32)11-19-28(22,13-37-19)39-15(2)30/h6-10,17-19,21-22,24,31-33,36H,11-13H2,1-5H3InChIKey
YWLXLRUDGLRYDR-UHFFFAOYSA-NSynonyms
(2aR4S4aS6R9S11S12S12aR12bS)12bacetoxy46911tetrahydroxy4a81313tetramethyl5oxo2a344a56910111212a12bdodecahydro1H711methanocyclodeca(34)benzo(12b)oxet12ylbenzoate
(4acetyloxy191215tetrahydroxy10141717tetramethyl11oxo6oxatetracyclo(11310310047)heptadec13en2yl)benzoate
10DEACETYLBACCATIN(10DAB)
10DEACETYLBACCATIN10DEACETYLBACCATINIII10DEACETYLBACCATINIII
10DEACETYLBACCATINIII
10DESACETYLBACCATINIII
125001
4(acetyloxy)171013tetrahydroxy9oxo520epoxytax11en2ylbenzoate
CC(=O)O(C@@)12CO(C@@H)1C(C@@H)((C@@)1((C@@H)2(C@H)(OC(=O)c2ccccc2)(C@)2(O)C(C@H)(O)C(=C(C2(C)C)(C@H)(C1=O)O)C)C)O
InChI=1SC29H36O10c11417(31)1229(36)24(3825(35)1697681016)2227(523(34)21(33)20(14)26(293)4)18(32)111928(22133719)3915(2)30h6101719212224313336H1113H215H3
MFCD08741671
ZINC000245190605
ZINC000245190608
Check stock
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Check stock on Vitas-MAvailable files
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