Vitas-M small molecule compound
[(2R,2'R,5'R,6'S,8a'S)-2',5',8a'-trimethyl-6'-{[(2-methylphenyl)carbonyl]oxy}-5-(2-{[(2-methylphenyl)carbonyl]oxy}ethyl)decahydro-2'H,3H-spiro[furan-2,1'-naphthalene]-5,5'-diyl]dimethanediyl bis(2-methylbenzoate)
Catalog ID
STL562147
SMILES O=C(c1ccccc1C)OCC1(CCOC(=O)c2ccccc2C)CC[C@@]2(O1)[C@H](C)CCC1[C@]2(C)CC[C@@H]([C@@]1(C)COC(=O)c1ccccc1C)OC(=O)c1ccccc1C
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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 C52H60O9 MW 829.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C52H60O9/c1-34-16-8-12-20-39(34)45(53)57-31-30-51(33-59-47(55)41-22-14-10-18-36(41)3)28-29-52(61-51)38(5)24-25-43-49(6,32-58-46(54)40-21-13-9-17-35(40)2)44(26-27-50(43,52)7)60-48(56)42-23-15-11-19-37(42)4/h8-23,38,43-44H,24-33H2,1-7H3/t38-,43?,44InChIKey
OCBCWMPNUOYPRF-RKNPPIEHSA-NSynonyms
((1R2R5S5R6S8aS)258atrimethyl6((2methylbenzoyl)oxy)5(2((2methylbenzoyl)oxy)ethyl)decahydro2H3Hspiro(furan21naphthalene)55diyl)bis(methylene)bis(2methylbenzoate)
((2R2R5R6S8AS)258ATRIMETHYL6(((2METHYLPHENYL)CARBONYL)OXY)5(2(((2METHYLPHENYL)CARBONYL)OXY)ETHYL)DECAHYDRO2H3HSPIRO(FURAN21NAPHTHALENE)55DIYL)DIMETHANEDIYLBIS(2MET
((2R2R5R6S8aS)258atrimethyl6(((2methylphenyl)carbonyl)oxy)5(2(((2methylphenyl)carbonyl)oxy)ethyl)decahydro2H3Hspiro(furan21naphthalene)55diyl)dimethanediylbis(2methylbenzoate)
2((3S4R7R8R8aS)478atrimethyl3(2methylbenzoyl)oxy24bis((2methylbenzoyl)oxymethyl)spiro(234a567hexahydro1Hnaphthalene85oxolane)2yl)ethyl2methylbenzoate
44661012
HYLBENZOATE)
InChI=1SC52H60O9c134168122039(34)45(53)57313051(335947(55)412214101836(41)3)282952(6151)38(5)24254349(6325846(54)40211391735(40)2)44(262750(4352)7)6048(56)422315111937(42)4h823384344H2433H217H3t3843?44+49+50+51?52m1s1
MFCD32651186
O=C(c1ccccc1C)OC(C@@)1(CCOC(=O)c2ccccc2C)CC(C@@)2(O1)(C@H)(C)CCC1(C@)2(C)CC(C@@H)((C@@)1(C)COC(=O)c1ccccc1C)OC(=O)c1ccccc1C
ZINC000085902414
ZINC000150404106
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