Vitas-M small molecule compound
methyl (3beta,5xi,9xi)-3-hydroxy-11-oxooleana-12,18-dien-30-oate
Catalog ID
STL525513
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)CC[C@@H](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 C31H46O4 MW 482.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H46O4/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/h17-18,22-24,33H,9-16H2,1-8H3/t22?,23-,24?,27+,28-,29-,30+,31+/m0/s1InChIKey
PNXIHWXLABLWJD-KENXXGPBSA-NSynonyms
(2S4aS6aS6bR10S12aS)methyl10hydroxy24a6a6b9912aheptamethyl13oxo2344a566a6b788a910111212a12b13octadecahydropicene2carboxylate
16396426
COC(=O)(C@@)1(C)CC(C@)2(C(=C1)C1=CC(=O)C3(C@@)((C@@)1(CC2)C)(C)CCC1(C@)3(C)CC(C@@H)(C1(C)C)O)C
InChI=1SC31H46O4c126(2)2291231(7)24(29(225)111023(26)33)21(32)1719201828(425(34)358)141327(203)151630(1931)6h1718222433H916H218H3t22?2324?27+282930+31+m0s1
methyl(2~(S)4~(a)~(S)6~(a)~(S)6~(b)~(R)10~(S)12~(a)~(S))10hydroxy24~(a)6~(a)6~(b)9912~(a)heptamethyl13oxo4566~(a)788~(a)101112decahydro3~(H)picene2carboxylate
methyl(3beta5xi9xi)3hydroxy11oxooleana1218dien30oate
MFCD01880814
ZINC000012658322
ZINC000012658331
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.