Vitas-M small molecule compound
{(2R,2'R,5'R,6'S,8a'S)-6'-(acetyloxy)-5-[2-(acetyloxy)ethyl]-2',5',8a'-trimethyldecahydro-2'H,3H-spiro[furan-2,1'-naphthalene]-5,5'-diyl}dimethanediyl diacetate
Catalog ID
STL562343
SMILES CC(=O)OCC1(CCOC(=O)C)CC[C@@]2(O1)[C@H](C)CCC1[C@]2(C)CC[C@@H]([C@@]1(C)COC(=O)C)OC(=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 C28H44O9 MW 524.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H44O9/c1-18-8-9-23-25(6,16-34-20(3)30)24(36-22(5)32)10-11-26(23,7)28(18)13-12-27(37-28,17-35-21(4)31)14-15-33-19(2)29/h18,23-24H,8-17H2,1-7H3/t18-,23?,24+,25+,26+,27?,28-/m1/s1InChIKey
WIIDRWWONDMYTO-DTZZQTFRSA-NSynonyms
((1R2R5S5R6S8aS)6acetoxy5(2acetoxyethyl)258atrimethyldecahydro2H3Hspiro(furan21naphthalene)55diyl)bis(methylene)diacetate((2R2R5R6S8aS)6(acetyloxy)5(2(acetyloxy)ethyl)258atrimethyldecahydro2H3Hspiro(furan21naphthalene)55diyl)dimethanediyldiacetate
2((3S4R7R8R8aS)3acetyloxy24bis(acetyloxymethyl)478atrimethylspiro(234a567hexahydro1Hnaphthalene85oxolane)2yl)ethylacetate
CC(=O)OC(C@@)1(CCOC(=O)C)CC(C@@)2(O1)(C@H)(C)CCC1(C@)2(C)CC(C@@H)((C@@)1(C)COC(=O)C)OC(=O)C
Registry IDs
MFCD32651231ZINC000008789489
ZINC000033734905
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