[(4S,4aR,5S,6aS,6bR,10S,12aR,14bS)-5-hydroxy-4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-4-yl] (E)-2-methylbut-2-enoate

More details:

• Systematic name

  [(4S,4aR,5S,6aS,6bR,10S,12aR,14bS)-5-hydroxy-4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-4-yl] (E)-2-methylbut-2-enoate

• SMILES

  O=C(O[C@H]3CC(C)(C)C[C@H]2/C1=C/CC8[C@](C)([C@]1(C)C[C@H](O)[C@]23CO)CCC7[C@]8(C)CC[C@H](O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)CO[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)C7(C)C)/C(=C/C)C

• Std. InChi

  InChI=1S/C52H84O19/c1-10-24(2)43(64)70-34-19-47(3,4)17-26-25-11-12-31-49(7)15-14-33(48(5,6)30(49)13-16-50(31,8)51(25,9)18-32(55)52(26,34)23-53)71-46-42(63)39(60)37(58)29(69-46)22-67-45-41(62)38(59)36(57)28(68-45)21-66-44-40(61)35(56)27(54)20-65-44/h10-11,26-42,44-46,53-63H,12-23H2,1-9H3/b24-10+/t26-,27+,28+,29+,30?,31?,32-,33-,34-,35-,36+,37+,38-,39-,40+,41+,42+,44-,45+,46-,49-,50+,51+,52-/m0/s1

• Std. InChIKey

  JYWGVSGUYJKUPF-RAUZXSSNSA-N

• Cite this record

  CSID:8639124, http://www.chemspider.com/Chemical-Structure.8639124.html (accessed 23:12, Jul 3, 2024)