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(5xi,9xi,13xi,17xi,18xi,19xi)-lup-20(29)-ene-3,28-diyl (2E,2'E)bis[3-(4-methoxyphenyl)prop-2-enoate]

Catalog ID
STL524821
SMILES COc1ccc(cc1)/C=C/C(=O)OCC12CCC(C2C2[C@](CC1)(C)[C@]1(C)CCC3[C@](C1CC2)(C)CCC(C3(C)C)OC(=O)/C=C/c1ccc(cc1)OC)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 C50H66O6 MW 763.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C50H66O6/c1-33(2)38-24-29-50(32-55-43(51)22-14-34-10-16-36(53-8)17-11-34)31-30-48(6)39(45(38)50)20-21-41-47(5)27-26-42(46(3,4)40(47)25-28-49(41,48)7)56-44(52)23-15-35-12-18-37(54-9)19-13-35/h10-19,22-23,38-42,45H,1,20-21,24-32H2,2-9H3/b22-14+,23-
InChIKey
MGHUUVMVADBVMO-DZWANJDTSA-N
Synonyms

((5~(a)~(R)5~(b)~(R)11~(a)~(R))9((~(E))3(4methoxyphenyl)prop2enoyl)oxy5~(a)5~(b)8811~(a)pentamethyl1prop1en2yl12345677~(a)9101111~(b)121313~(a)13~(b)hexadecahydrocyclopenta(a)chrysen3~(a)yl)methyl(~(E))3(4methoxyphenyl)prop2enoate
(5xi9xi13xi17xi18xi19xi)lup20(29)ene328diyl(2E2E)bis(3(4methoxyphenyl)prop2enoate)
(E)((1R3aS5aR5bR9S11aR11bR13bS)9(((E)3(4methoxyphenyl)acryloyl)oxy)5a5b8811apentamethyl1(prop1en2yl)icosahydro1Hcyclopenta(a)chrysen3ayl)methyl3(4methoxyphenyl)acrylate
44660993
COc1ccc(cc1)C=CC(=O)OC(C@@)12CC(C@H)((C@H)2C2(C@)(CC1)(C)(C@)1(C)CCC3(C@)((C@H)1CC2)(C)CC(C@@H)(C3(C)C)OC(=O)C=Cc1ccc(cc1)OC)C(=C)C
InChI=1SC50H66O6c133(2)38242950(325543(51)221434101636(538)171134)313048(6)39(45(38)50)20214147(5)272642(46(34)40(47)252849(4148)7)5644(52)231535121837(549)191335h10192223384245H120212432H229H3b2214+2315+t38?39?40?41?42?45?4748+49+50?m0s1
ZINC000085907248
ZINC000257361206

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Available files

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