Vitas-M small molecule compound
methyl (2Z,5xi,9xi,13xi,17xi,18xi)-2-(2-methoxybenzylidene)-3-oxolup-20(29)-en-28-oate
Catalog ID
STL524667
SMILES COC(=O)C12CC[C@H](C2C2[C@](CC1)(C)[C@]1(C)CCC3[C@](C1CC2)(C)C/C(=C/c1ccccc1OC)/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 C39H54O4 MW 586.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H54O4/c1-24(2)27-16-19-39(34(41)43-9)21-20-37(6)28(32(27)39)14-15-31-36(5)23-26(22-25-12-10-11-13-29(25)42-8)33(40)35(3,4)30(36)17-18-38(31,37)7/h10-13,22,27-28,30-32H,1,14-21,23H2,2-9H3/b26-22-/t27-,28?,30?,31?,32?,36-,37+,38+,39?/m0/s1InChIKey
CDQMFMRWVGTBOW-ULQQXMTJSA-NSynonyms
(1R3aS5aR5bR11aR11bR13aRZ)methyl10(2methoxybenzylidene)5a5b8811apentamethyl9oxo1(prop1en2yl)icosahydro1Hcyclopenta(a)chrysene3acarboxylate
44661532
COC(=O)(C@@)12CC(C@H)(C2(C@@H)2(C@)(CC1)(C)(C@)1(C)CCC3(C@)((C@H)1CC2)(C)CC(=Cc1ccccc1OC)C(=O)C3(C)C)C(=C)C
InChI=1SC39H54O4c124(2)27161939(34(41)439)212037(6)28(32(27)39)14153136(5)2326(22251210111329(25)428)33(40)35(34)30(36)171838(3137)7h10132227283032H1142123H229H3b2622t2728?30?31?32?3637+38+39?m0s1
methyl(1~(R)5~(a)~(R)5~(b)~(R)10~(Z)11~(a)~(R))10((2methoxyphenyl)methylidene)5~(a)5~(b)8811~(a)pentamethyl9oxo1prop1en2yl12345677~(a)1111~(b)121313~(a)13~(b)tetradecahydrocyclopenta(a)chrysene3~(a)carboxylate
methyl(2Z5xi9xi13xi17xi18xi)2(2methoxybenzylidene)3oxolup20(29)en28oate
MFCD01844533
ZINC000070669834
ZINC000070669837
Check stock
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