Vitas-M small molecule compound
methyl (5xi,9xi,18xi)-3-hydroxy-11-oxoolean-12-en-30-oate
Catalog ID
STL564890
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(C1(C)C)O)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 C31H48O4 MW 484.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H48O4/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/h17,20,22-24,33H,9-16,18H2,1-8H3/t20?,22?,23?,24?,27-,28+,29+,30-,31-/m1/s1InChIKey
RMIVRCBSQPCSCQ-XMXBCSEGSA-NSynonyms
(2S4aS6aS6bR10S12aS14bS)methyl10hydroxy24a6a6b9912aheptamethyl13oxo12344a566a6b788a910111212a12b1314bicosahydropicene2carboxylate
5343385
COC(=O)(C@@)1(C)CC(C@)2((C@H)(C1)C1=CC(=O)C3(C@@)((C@@)1(CC2)C)(C)CCC1(C@)3(C)CC(C@@H)(C1(C)C)O)C
GLYCYRRHETICACIDMEESTER
InChI=1SC31H48O4c126(2)2291231(7)24(29(225)111023(26)33)21(32)1719201828(425(34)358)141327(203)151630(1931)6h1720222433H91618H218H3t20?22?23?24?2728+29+3031m1s1
methyl(2S4aS6aS6bR12aS)10hydroxy24a6a6b9912aheptamethyl13oxo34566a788a10111214bdodecahydro1Hpicene2carboxylate
methyl(5xi9xi18xi)3hydroxy11oxoolean12en30oate
ZINC000008952387
ZINC000022200374
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.