Vitas-M small molecule compound
methyl (2Z,5xi,9xi,13xi,17xi,18xi)-2-(2,3-dimethoxybenzylidene)-3-oxolup-20(29)-en-28-oate
Catalog ID
STL525649
SMILES COC(=O)C12CC[C@H](C2C2[C@](CC1)(C)[C@]1(C)CCC3[C@](C1CC2)(C)C/C(=C/c1cccc(c1OC)OC)/C(=O)C3(C)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 C40H56O5 MW 616.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C40H56O5/c1-24(2)27-16-19-40(35(42)45-10)21-20-38(6)28(32(27)40)14-15-31-37(5)23-26(22-25-12-11-13-29(43-8)33(25)44-9)34(41)36(3,4)30(37)17-18-39(31,38)7/h11-13,22,27-28,30-32H,1,14-21,23H2,2-10H3/b26-22-/t27-,28?,30?,31?,32?,37-,38+,39+,40?/m0/sInChIKey
WPSBODQYFORBIF-IOUJHKBWSA-NSynonyms
(1R3aS5aR5bR11aR11bR13aRZ)methyl10(23dimethoxybenzylidene)5a5b8811apentamethyl9oxo1(prop1en2yl)icosahydro1Hcyclopenta(a)chrysene3acarboxylate
44662595
COC(=O)(C@@)12CC(C@H)(C2(C@@H)2(C@)(CC1)(C)(C@)1(C)CCC3(C@)((C@H)1CC2)(C)CC(=Cc1cccc(c1OC)OC)C(=O)C3(C)C)C(=C)C
InChI=1SC40H56O5c124(2)27161940(35(42)4510)212038(6)28(32(27)40)14153137(5)2326(222512111329(438)33(25)449)34(41)36(34)30(37)171839(3138)7h11132227283032H1142123H2210H3b2622t2728?30?31?32?3738+39+40?m0s1
methyl(1~(R)5~(a)~(R)5~(b)~(R)10~(Z)11~(a)~(R))10((23dimethoxyphenyl)methylidene)5~(a)5~(b)8811~(a)pentamethyl9oxo1prop1en2yl12345677~(a)1111~(b)121313~(a)13~(b)tetradecahydrocyclopenta(a)chrysene3~(a)carboxylate
methyl(2Z5xi9xi13xi17xi18xi)2(23dimethoxybenzylidene)3oxolup20(29)en28oate
MFCD01844720
ZINC000070669848
ZINC000070669851
Check stock
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