Vitas-M small molecule compound
2-({[(5xi,9xi,13xi,17xi,18xi)-28-(acetyloxy)lup-20(29)-en-3-yl]oxy}carbonyl)benzoic acid
Catalog ID
STL526496
SMILES CC(=O)OCC12CC[C@H](C2C2[C@](CC1)(C)[C@]1(C)CCC3[C@](C1CC2)(C)CCC(C3(C)C)OC(=O)c1ccccc1C(=O)O)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 C40H56O6 MW 632.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C40H56O6/c1-24(2)26-15-20-40(23-45-25(3)41)22-21-38(7)29(33(26)40)13-14-31-37(6)18-17-32(36(4,5)30(37)16-19-39(31,38)8)46-35(44)28-12-10-9-11-27(28)34(42)43/h9-12,26,29-33H,1,13-23H2,2-8H3,(H,42,43)/t26-,29?,30?,31?,32?,33?,37-,38+,39+,40?/m0/s1InChIKey
LTSNJOBYKAGBLS-MECLWMJQSA-NSynonyms
16396844
2((((1R5aR5bR11aR)3a(acetoxymethyl)5a5b8811apentamethyl1(prop1en2yl)icosahydro1Hcyclopenta(a)chrysen9yl)oxy)carbonyl)benzoicacid
2((((5xi9xi13xi17xi18xi)28(acetyloxy)lup20(29)en3yl)oxy)carbonyl)benzoicacid
2(((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)oxycarbonyl)benzoicacid
CC(=O)OCC12CC(C@H)(C2C2(C@)(CC1)(C)(C@)1(C)CCC3(C@)(C1CC2)(C)CCC(C3(C)C)OC(=O)c1ccccc1C(=O)O)C(=C)C
InChI=1SC40H56O6c124(2)26152040(234525(3)41)222138(7)29(33(26)40)13143137(6)181732(36(45)30(37)161939(3138)8)4635(44)28121091127(28)34(42)43h912262933H11323H228H3(H4243)t2629?30?31?32?33?3738+39+40?m0s1
MFCD02059429
ZINC000253503386
ZINC000253503397
Check stock
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