Vitas-M small molecule compound
methyl (2Z,5xi,9xi,13xi,17xi,18xi,19xi)-2-(hydroxymethylidene)-3-oxolup-20(29)-en-28-oate
Catalog ID
STL540031
SMILES O/C=C\1/C[C@@]2(C)C(C(C1=O)(C)C)CC[C@@]1(C2CCC2[C@@]1(C)CCC1(C2C(CC1)C(=C)C)C(=O)OC)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 C32H48O4 MW 496.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H48O4/c1-19(2)21-11-14-32(27(35)36-8)16-15-30(6)22(25(21)32)9-10-24-29(5)17-20(18-33)26(34)28(3,4)23(29)12-13-31(24,30)7/h18,21-25,33H,1,9-17H2,2-8H3/b20-18-/t21?,22?,23?,24?,25?,29-,30+,31+,32?/m0/s1InChIKey
MHIYJJQLLXOWKA-FQXMTUGXSA-NSynonyms
(5aR5bR11aRZ)methyl10(hydroxymethylene)5a5b8811apentamethyl9oxo1(prop1en2yl)icosahydro1Hcyclopenta(a)chrysene3acarboxylate
42648542
InChI=1SC32H48O4c119(2)21111432(27(35)368)161530(6)22(25(21)32)9102429(5)1720(1833)26(34)28(34)23(29)121331(2430)7h18212533H1917H228H3b2018t21?22?23?24?25?2930+31+32?m0s1
methyl(2Z5xi9xi13xi17xi18xi19xi)2(hydroxymethylidene)3oxolup20(29)en28oate
methyl(5~(a)~(R)5~(b)~(R)10~(Z)11~(a)~(R))10(hydroxymethylidene)5~(a)5~(b)8811~(a)pentamethyl9oxo1prop1en2yl12345677~(a)1111~(b)121313~(a)13~(b)tetradecahydrocyclopenta(a)chrysene3~(a)carboxylate
OC=C1C(C@@)2(C)C(C(C1=O)(C)C)CC(C@@)1(C2CCC2(C@@)1(C)CCC1(C2C(CC1)C(=C)C)C(=O)OC)C
ZINC000257198933
ZINC000257198936
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.