Vitas-M small molecule compound
methyl (2beta,5xi,9xi,18xi)-2-bromo-3,11-dioxoolean-12-en-30-oate
Catalog ID
STL529341
SMILES COC(=O)[C@@]1(C)CC[C@]2(C(C1)C1=CC(=O)C3[C@@]([C@@]1(CC2)C)(C)CCC1[C@]3(C)C[C@H](Br)C(=O)C1(C)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 C31H45BrO4 MW 561.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H45BrO4/c1-26(2)22-9-10-31(7)23(29(22,5)17-20(32)24(26)34)21(33)15-18-19-16-28(4,25(35)36-8)12-11-27(19,3)13-14-30(18,31)6/h15,19-20,22-23H,9-14,16-17H2,1-8H3/t19?,20-,22?,23?,27+,28-,29-,30+,31+/m0/s1InChIKey
JYZNDQLCHFXCEM-DJIPVUQQSA-NSynonyms
(2S4aS6aS6bR11S12aS)methyl11bromo24a6a6b9912aheptamethyl1013dioxo12344a566a6b788a910111212a12b1314bicosahydropicene2carboxylate
44661995
COC(=O)(C@@)1(C)CC(C@)2(C(C1)C1=CC(=O)C3(C@@)((C@@)1(CC2)C)(C)CCC1(C@)3(C)C(C@H)(Br)C(=O)C1(C)C)C
InChI=1SC31H45BrO4c126(2)2291031(7)23(29(225)1720(32)24(26)34)21(33)1518191628(425(35)368)121127(193)131430(1831)6h1519202223H9141617H218H3t19?2022?23?27+282930+31+m0s1
methyl(2~(S)4~(a)~(S)6~(a)~(S)6~(b)~(R)11~(S)12~(a)~(S))11bromo24~(a)6~(a)6~(b)9912~(a)heptamethyl1013dioxo134566~(a)788~(a)111214~(b)dodecahydropicene2carboxylate
methyl(2beta5xi9xi18xi)2bromo311dioxoolean12en30oate
MFCD02059616
ZINC000008385797
ZINC000229918863
Check stock
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Check stock on Vitas-MAvailable files
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