Vitas-M small molecule compound

4-{[(5xi,9xi,13xi,17xi,18xi)-28-(acetyloxy)lup-20(29)-en-3-yl]oxy}-4-oxobutanoic acid

Catalog ID
STL526047
SMILES O=C(OC1CC[C@]2(C(C1(C)C)CC[C@@]1(C2CCC2[C@@]1(C)CCC1(C2[C@@H](CC1)C(=C)C)COC(=O)C)C)C)CCC(=O)O

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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 C36H56O6 MW 584.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H56O6/c1-22(2)24-13-18-36(21-41-23(3)37)20-19-34(7)25(31(24)36)9-10-27-33(6)16-15-28(42-30(40)12-11-29(38)39)32(4,5)26(33)14-17-35(27,34)8/h24-28,31H,1,9-21H2,2-8H3,(H,38,39)/t24-,25?,26?,27?,28?,31?,33-,34+,35+,36?/m0/s1
InChIKey
QUVDNQFOKKUKAA-WTQPOICXSA-N
Synonyms

16396855
4(((1~(R)5~(a)~(R)5~(b)~(R)11~(a)~(R))3~(a)(acetyloxymethyl)5~(a)5~(b)8811~(a)pentamethyl1prop1en2yl12345677~(a)9101111~(b)121313~(a)13~(b)hexadecahydrocyclopenta(a)chrysen9yl)oxy)4oxobutanoicacid
4(((1R5aR5bR11aR)3a(acetoxymethyl)5a5b8811apentamethyl1(prop1en2yl)icosahydro1Hcyclopenta(a)chrysen9yl)oxy)4oxobutanoicacid
4(((5xi9xi13xi17xi18xi)28(acetyloxy)lup20(29)en3yl)oxy)4oxobutanoicacid
InChI=1SC36H56O6c122(2)24131836(214123(3)37)201934(7)25(31(24)36)9102733(6)161528(4230(40)121129(38)39)32(45)26(33)141735(2734)8h242831H1921H228H3(H3839)t2425?26?27?28?31?3334+35+36?m0s1
MFCD02059481
O=C(OC1CC(C@)2(C(C1(C)C)CC(C@@)1(C2CCC2(C@@)1(C)CCC1(C2(C@@H)(CC1)C(=C)C)COC(=O)C)C)C)CCC(=O)O
ZINC000253522769
ZINC000253522772

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Available files

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