6-[[9-acetoxy-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(E)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-hydroxy-3,5-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy]tetrahydropyran-2-carboxylic acid

More details:

• Systematic name

  6-[[9-acetoxy-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(E)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-hydroxy-3,5-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy]tetrahydropyran-2-carboxylic acid

• SMILES

  C/C=C(/C(=O)OC1C(CC2C(C1OC(=O)C)(C(CC3(C2=CCC4C3(CCC5C4(CCC(C5(CO)C)OC6OC(C(C(C6OC7OC(C(C(C7O)O)O)CO)O)OC8OC(C(C(C8O)O)O)CO)C(=O)O)C)C)C)O)CO)(C)C)\C.C/C=C(/C(=O)OC1C(CC2C(C1OC(=O)C)(C(CC3(C2=CCC4C3(CCC5C4(CCC(C5(CO)C)OC6OC(C(C(C6OC7OC(C(C(C7O)O)O)CO)O)OC8OC(C(C(C8O)O)O)CO)C(=O)O)C)C)C)O)CO)(C)C)\C

• Std. InChi

  InChI=1S/2C55H86O24/c2*1-10-23(2)46(71)79-43-44(72-24(3)60)55(22-59)26(17-50(43,4)5)25-11-12-30-51(6)15-14-32(52(7,21-58)29(51)13-16-53(30,8)54(25,9)18-31(55)61)75-49-41(77-48-38(67)36(65)34(63)28(20-57)74-48)39(68)40(42(78-49)45(69)70)76-47-37(66)35(64)33(62)27(19-56)73-47/h2*10-11,26-44,47-49,56-59,61-68H,12-22H2,1-9H3,(H,69,70)

• Std. InChIKey

  YFESOSRPNPYODN-UHFFFAOYSA-N

• Cite this record

  CSID:25021351, http://www.chemspider.com/Chemical-Structure.25021351.html (accessed 00:16, Apr 19, 2024)