Vitas-M small molecule compound
(5xi,9xi,13xi,17xi,18xi,19xi)-lup-20(29)-ene-3,28-diyl (2E,2'E)bis(3-phenylprop-2-enoate)
Catalog ID
STL525656
SMILES O=C(OCC12CCC(C2C2[C@](CC1)(C)[C@]1(C)CCC3[C@](C1CC2)(C)CCC(C3(C)C)OC(=O)/C=C/c1ccccc1)C(=C)C)/C=C/c1ccccc1
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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 C48H62O4 MW 703.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C48H62O4/c1-33(2)36-24-29-48(32-51-41(49)22-18-34-14-10-8-11-15-34)31-30-46(6)37(43(36)48)20-21-39-45(5)27-26-40(44(3,4)38(45)25-28-47(39,46)7)52-42(50)23-19-35-16-12-9-13-17-35/h8-19,22-23,36-40,43H,1,20-21,24-32H2,2-7H3/b22-18+,23-19+/t36?,37?,InChIKey
OADZSFPWAGMTDV-QWRSHYLFSA-NSynonyms
((5~(a)~(R)5~(b)~(R)11~(a)~(R))5~(a)5~(b)8811~(a)pentamethyl9((~(E))3phenylprop2enoyl)oxy1prop1en2yl12345677~(a)9101111~(b)121313~(a)13~(b)hexadecahydrocyclopenta(a)chrysen3~(a)yl)methyl(~(E))3phenylprop2enoate
((5aR5bR11aR)9(cinnamoyloxy)5a5b8811apentamethyl1(prop1en2yl)icosahydro1Hcyclopenta(a)chrysen3ayl)methylcinnamate
(5xi9xi13xi17xi18xi19xi)lup20(29)ene328diyl(2E2E)bis(3phenylprop2enoate)
16395961
InChI=1SC48H62O4c133(2)36242948(325141(49)22183414108111534)313046(6)37(43(36)48)20213945(5)272640(44(34)38(45)252847(3946)7)5242(50)23193516129131735h8192223364043H120212432H227H3b2218+2319+t36?37?38?39?40?43?4546+47+48?m0s1
O=C(OCC12CCC(C2C2(C@)(CC1)(C)(C@)1(C)CCC3(C@)(C1CC2)(C)CCC(C3(C)C)OC(=O)C=Cc1ccccc1)C(=C)C)C=Cc1ccccc1
ZINC000253505918
ZINC000253505925
Check stock
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