Vitas-M small molecule compound
2-{[(5xi,9xi,13xi,17xi,18xi)-19,28-epoxyoleanan-3-yloxy]carbonyl}benzoic acid
Catalog ID
STL526430
SMILES O=C(c1ccccc1C(=O)O)OC1CC[C@]2(C(C1(C)C)CC[C@@]1(C2CCC2[C@@]1(C)CCC13C2C(OC1)C(C)(C)CC3)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 C38H54O5 MW 590.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H54O5/c1-33(2)18-20-38-21-19-36(6)25(29(38)30(33)42-22-38)12-13-27-35(5)16-15-28(34(3,4)26(35)14-17-37(27,36)7)43-32(41)24-11-9-8-10-23(24)31(39)40/h8-11,25-30H,12-22H2,1-7H3,(H,39,40)/t25?,26?,27?,28?,29?,30?,35-,36+,37+,38?/m0/s1InChIKey
UWRNPJWINMCXCL-RHTNIPKLSA-NSynonyms
16396765
2((((6aR6bR12aR)226a6b9912aheptamethylicosahydro1H14a(epoxymethano)picen10yl)oxy)carbonyl)benzoicacid
2(((4~(R)5~(R)13~(R))4599132020heptamethyl24oxahexacyclo(17320^(118)0^(417)0^(514)0^(813))tetracosan10yl)oxycarbonyl)benzoicacid
2(((5xi9xi13xi17xi18xi)1928epoxyoleanan3yloxy)carbonyl)benzoicacid
InChI=1SC38H54O5c133(2)182038211936(6)25(29(38)30(33)422238)12132735(5)161528(34(34)26(35)141737(2736)7)4332(41)2411981023(24)31(39)40h8112530H1222H217H3(H3940)t25?26?27?28?29?30?3536+37+38?m0s1
MFCD02058619
O=C(c1ccccc1C(=O)O)OC1CC(C@)2(C(C1(C)C)CC(C@@)1(C2CCC2(C@@)1(C)CCC13C2C(OC1)C(C)(C)CC3)C)C
ZINC000253387819
ZINC000253387822
Check stock
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Check stock on Vitas-MAvailable files
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