Vitas-M small molecule compound
(5xi,9xi,13xi,17xi,18xi)-3-(acetyloxy)lup-20(29)-en-28-yl methyl benzene-1,2-dicarboxylate
Catalog ID
STL528059
SMILES COC(=O)c1ccccc1C(=O)OCC12CC[C@H](C2C2[C@](CC1)(C)[C@]1(C)CCC3[C@](C1CC2)(C)CCC(C3(C)C)OC(=O)C)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 C41H58O6 MW 646.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C41H58O6/c1-25(2)27-16-21-41(24-46-36(44)29-13-11-10-12-28(29)35(43)45-9)23-22-39(7)30(34(27)41)14-15-32-38(6)19-18-33(47-26(3)42)37(4,5)31(38)17-20-40(32,39)8/h10-13,27,30-34H,1,14-24H2,2-9H3/t27-,30?,31?,32?,33?,34?,38-,39+,40+,41?/m0/s1InChIKey
CDARBWAJYBBEIL-GQXSCMOSSA-NSynonyms
((1R5aR5bR11aR)9acetoxy5a5b8811apentamethyl1(prop1en2yl)icosahydro1Hcyclopenta(a)chrysen3ayl)methylmethylphthalate
(5xi9xi13xi17xi18xi)3(acetyloxy)lup20(29)en28ylmethylbenzene12dicarboxylate
16398487
2~(O)(((1~(R)5~(a)~(R)5~(b)~(R)11~(a)~(R))9acetyloxy5~(a)5~(b)8811~(a)pentamethyl1prop1en2yl12345677~(a)9101111~(b)121313~(a)13~(b)hexadecahydrocyclopenta(a)chrysen3~(a)yl)methyl)1~(O)methylbenzene12dicarboxylate
COC(=O)c1ccccc1C(=O)OCC12CC(C@H)(C2C2(C@)(CC1)(C)(C@)1(C)CCC3(C@)(C1CC2)(C)CCC(C3(C)C)OC(=O)C)C(=C)C
InChI=1SC41H58O6c125(2)27162141(244636(44)291311101228(29)35(43)459)232239(7)30(34(27)41)14153238(6)191833(4726(3)42)37(45)31(38)172040(3239)8h1013273034H11424H229H3t2730?31?32?33?34?3839+40+41?m0s1
MFCD03849966
ZINC000253504358
ZINC000253504374
Check stock
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