Vitas-M small molecule compound
(2E,5xi,9xi,13xi,17xi,18xi)-2-(2-methoxybenzylidene)-3-oxolup-20(29)-en-28-oic acid
Catalog ID
STL526053
SMILES COc1ccccc1/C=C/1\C[C@@]2(C)C(C(C1=O)(C)C)CC[C@@]1(C2CCC2[C@@]1(C)CCC1(C2[C@@H](CC1)C(=C)C)C(=O)O)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 C38H52O4 MW 572.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H52O4/c1-23(2)26-15-18-38(33(40)41)20-19-36(6)27(31(26)38)13-14-30-35(5)22-25(21-24-11-9-10-12-28(24)42-8)32(39)34(3,4)29(35)16-17-37(30,36)7/h9-12,21,26-27,29-31H,1,13-20,22H2,2-8H3,(H,40,41)/b25-21+/t26-,27?,29?,30?,31?,35-,36+,37+,38?/m0/s1InChIKey
QWQHLLFAUQXEKW-YNRKZWHFSA-NSynonyms
(1~(R)5~(a)~(R)5~(b)~(R)10~(E)11~(a)~(R))10((2methoxyphenyl)methylidene)5~(a)5~(b)8811~(a)pentamethyl9oxo1prop1en2yl12345677~(a)1111~(b)121313~(a)13~(b)tetradecahydrocyclopenta(a)chrysene3~(a)carboxylicacid
(1R3aS5aR5bR11aR11bR13aRE)10(2methoxybenzylidene)5a5b8811apentamethyl9oxo1(prop1en2yl)icosahydro1Hcyclopenta(a)chrysene3acarboxylicacid
(2E5xi9xi13xi17xi18xi)2(2methoxybenzylidene)3oxolup20(29)en28oicacid
44663879
COc1ccccc1C=C1C(C@@)2(C)C(C(C1=O)(C)C)CC(C@@)1((C@@H)2CC(C@H)2(C@@)1(C)CC(C@@)1(C2(C@@H)(CC1)C(=C)C)C(=O)O)C
InChI=1SC38H52O4c123(2)26151838(33(40)41)201936(6)27(31(26)38)13143035(5)2225(2124119101228(24)428)32(39)34(34)29(35)161737(3036)7h9122126272931H1132022H228H3(H4041)b2521+t2627?29?30?31?3536+37+38?m0s1
MFCD02057420
ZINC000070697394
ZINC000070697406
Check stock
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