Vitas-M small molecule compound
(5xi,9xi,13xi,17xi,18xi)-3-(acetyloxy)lup-20(29)-en-28-yl methyl butanedioate
Catalog ID
STL527381
SMILES COC(=O)CCC(=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 C37H58O6 MW 598.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H58O6/c1-23(2)25-14-19-37(22-42-31(40)13-12-30(39)41-9)21-20-35(7)26(32(25)37)10-11-28-34(6)17-16-29(43-24(3)38)33(4,5)27(34)15-18-36(28,35)8/h25-29,32H,1,10-22H2,2-9H3/t25-,26?,27?,28?,29?,32?,34-,35+,36+,37?/m0/s1InChIKey
JQKSESDBFXGNIL-GIYPRCEVSA-NSynonyms
((1R5aR5bR11aR)9acetoxy5a5b8811apentamethyl1(prop1en2yl)icosahydro1Hcyclopenta(a)chrysen3ayl)methylmethylsuccinate
(5xi9xi13xi17xi18xi)3(acetyloxy)lup20(29)en28ylmethylbutanedioate
16397896
4~(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)methylbutanedioate
COC(=O)CCC(=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=1SC37H58O6c123(2)25141937(224231(40)131230(39)419)212035(7)26(32(25)37)10112834(6)171629(4324(3)38)33(45)27(34)151836(2835)8h252932H11022H229H3t2526?27?28?29?32?3435+36+37?m0s1
MFCD03267832
ZINC000253505290
ZINC000253505311
Check stock
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Check stock on Vitas-MAvailable files
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