Vitas-M small molecule compound
(4R,8xi,9beta,16alpha,17xi)-16,20,25-trihydroxy-9,10,14-trimethyl-1,11,22-trioxo-4,9-cyclo-9,10-secocholesta-2,5-dien-2-yl hexopyranoside
Catalog ID
STL564339
SMILES OCC1OC(OC2=C[C@@H]3C(=CCC4[C@@]3(C)C(=O)C[C@]3([C@@]4(C)C[C@H](C3[C@](C(=O)CCC(O)(C)C)(O)C)O)C)C(C2=O)(C)C)C(C(C1O)O)O
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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 C36H54O12 MW 678.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H54O12/c1-31(2,45)12-11-23(39)36(8,46)28-19(38)14-33(5)22-10-9-17-18(35(22,7)24(40)15-34(28,33)6)13-20(29(44)32(17,3)4)47-30-27(43)26(42)25(41)21(16-37)48-30/h9,13,18-19,21-22,25-28,30,37-38,41-43,45-46H,10-12,14-16H2,1-8H3/t18-,19-,21?,22?,25InChIKey
QCAZYVAEXLGYLV-BDZCBAMZSA-NSynonyms
(4R8xi9beta16alpha17xi)162025trihydroxy91014trimethyl11122trioxo49cyclo910secocholesta25dien2ylhexopyranoside
(9R10R13R14S16R)17((2R)26dihydroxy6methyl3oxoheptan2yl)16hydroxy4491314pentamethyl2(345trihydroxy6(hydroxymethyl)oxan2yl)oxy81012151617hexahydro7Hcyclopenta(a)phenanthrene311dione
44662005
InChI=1SC36H54O12c131(245)121123(39)36(846)2819(38)1433(5)221091718(35(227)24(40)1534(2833)6)1320(29(44)32(173)4)473027(43)26(42)25(41)21(1637)4830h91318192122252830373841434546H10121416H218H3t181921?22?25?26?27?28?30?33+3435+36+m1s1
OC(C@H)1O(C@@H)(OC2=C(C@@H)3C(=CCC4(C@@)3(C)C(=O)C(C@)3((C@@)4(C)C(C@H)((C@@H)3C(C(=O)CCC(O)(C)C)(O)C)O)C)C(C2=O)(C)C)(C@@H)((C@H)((C@@H)1O)O)O
ZINC000253506111
ZINC000253506121
Check stock
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Check stock on Vitas-MAvailable files
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