Vitas-M small molecule compound
methyl (5xi,9xi)-3,11-dioxooleana-12,18-dien-30-oate
Catalog ID
STL524608
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)CCC(=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 C31H44O4 MW 480.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H44O4/c1-26(2)22-9-12-31(7)24(29(22,5)11-10-23(26)33)21(32)17-19-20-18-28(4,25(34)35-8)14-13-27(20,3)15-16-30(19,31)6/h17-18,22,24H,9-16H2,1-8H3/t22?,24?,27-,28+,29+,30-,31-/m1/s1InChIKey
GSIDIGLXCWJQPN-BRLXHVQISA-NSynonyms
(2S4aS6aS6bR12aS)methyl24a6a6b9912aheptamethyl1013dioxo2344a566a6b788a910111212a12b13octadecahydropicene2carboxylate
5336986
COC(=O)(C@@)1(C)CC(C@)2(C(=C1)C1=CC(=O)C3(C@@)((C@@)1(CC2)C)(C)CCC1(C@)3(C)CCC(=O)C1(C)C)C
InChI=1SC31H44O4c126(2)2291231(7)24(29(225)111023(26)33)21(32)1719201828(425(34)358)141327(203)151630(1931)6h17182224H916H218H3t22?24?2728+29+3031m1s1
methyl(2~(S)4~(a)~(S)6~(a)~(S)6~(b)~(R)12~(a)~(S))24~(a)6~(a)6~(b)9912~(a)heptamethyl1013dioxo34566~(a)788~(a)1112decahydropicene2carboxylate
methyl(5xi9xi)311dioxooleana1218dien30oate
MFCD01881203
ZINC000008762129
ZINC000012658551
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.