(2S,3R,4S,6aR,6bR,8aS,14bR)-8a-[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5S,6S)-4-[(2R,4R,5R)-4,5-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl]oxy-3-hydroxy-6-methyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxycarbonyl-2,3-dihydroxy-6b-(hydroxymethyl)-4,6a,11,11,14b-pentamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid

More details:

• Systematic name

  (2S,3R,4S,6aR,6bR,8aS,14bR)-8a-[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5S,6S)-4-[(2R,4R,5R)-4,5-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl]oxy-3-hydroxy-6-methyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxycarbonyl-2,3-dihydroxy-6b-(hydroxymethyl)-4,6a,11,11,14b-pentamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid

• SMILES

  O=C(O)[C@]1(C)[C@@H](O)[C@@H](O)C[C@@]9(C)C1CC[C@]8(C)C9C/C=C7/C6CC(C)(C)CC[C@]6(C(=O)O[C@@H]5O[C@H](C)[C@H](O)[C@H](O)[C@H]5O[C@@H]4O[C@@H](C)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O[C@@H]3O[C@@H](O)[C@](O)(CO)C3)[C@H]4O)CC[C@]78CO

• Std. InChi

  InChI=1S/C52H82O23/c1-22-31(57)33(59)38(74-41-35(61)37(71-30-18-52(67,21-54)45(66)72-30)36(23(2)70-41)73-40-34(60)32(58)27(56)19-68-40)42(69-22)75-44(65)50-13-12-46(3,4)16-25(50)24-8-9-28-47(5)17-26(55)39(62)49(7,43(63)64)29(47)10-11-48(28,6)51(24,20-53)15-14-50/h8,22-23,25-42,45,53-62,66-67H,9-21H2,1-7H3,(H,63,64)/t22-,23+,25?,26+,27-,28?,29?,30-,31+,32+,33+,34-,35-,36+,37+,38-,39+,40+,41+,42+,45-,47-,48-,49+,50+,51+,52-/m1/s1

• Std. InChIKey

  XGVGXCJCMCRRAV-HACVQHSYSA-N

• Cite this record

  CSID:8594090, http://www.chemspider.com/Chemical-Structure.8594090.html (accessed 11:14, Apr 18, 2024)