[(2S,3R,5R,6S)-3-[(2S,3R,4S,5R,6S)-5-[(2R,4S,5R,6R)-5-[(2S,3R,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]oxy-4,6-dihydroxy-tetrahydropyran-2-yl]oxy-3,4-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-5,6-dihydroxy-tetrahydropyran-2-yl] (4aR,5R,6aS,6bR,8aR,10R,11S,12aR,14bS)-5,11-dihydroxy-9,9-bis(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate

More details:

• Systematic name

  [(2S,3R,5R,6S)-3-[(2S,3R,4S,5R,6S)-5-[(2R,4S,5R,6R)-5-[(2S,3R,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]oxy-4,6-dihydroxy-tetrahydropyran-2-yl]oxy-3,4-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-5,6-dihydroxy-tetrahydropyran-2-yl] (4aR,5R,6aS,6bR,8aR,10R,11S,12aR,14bS)-5,11-dihydroxy-9,9-bis(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate

• SMILES

  O=C(O[C@@H]4O[C@H](O)[C@H](O)C[C@H]4O[C@@H]3O[C@@H](C)[C@H](O[C@@H]2O[C@@H](O)[C@H](O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O)[C@@H](O)C2)[C@@H](O)[C@H]3O)[C@@]%108[C@H](/C7=C/CC6[C@@]9(C)C[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(CO)(CO)[C@@H]9CC[C@@]6(C)[C@]7(C)C[C@H]8O)CC(C)(C)CC%10

• Std. InChi

  InChI=1S/C57H92O28/c1-22-42(80-34-14-25(62)43(46(74)81-34)82-49-39(70)36(67)30(19-59)78-49)38(69)41(72)48(76-22)77-28-13-26(63)45(73)84-47(28)85-51(75)57-12-11-52(2,3)15-24(57)23-7-8-31-53(4)16-27(64)44(83-50-40(71)37(68)35(66)29(18-58)79-50)56(20-60,21-61)32(53)9-10-54(31,5)55(23,6)17-33(57)65/h7,22,24-50,58-74H,8-21H2,1-6H3/t22-,24-,25-,26+,27-,28+,29+,30-,31?,32+,33+,34+,35+,36+,37-,38-,39+,40+,41+,42-,43+,44-,45-,46+,47-,48-,49-,50-,53+,54+,55+,57+/m0/s1

• Std. InChIKey

  YQVCMGBARVPLOT-AVRGGXIGSA-N

• Cite this record

  CSID:8187197, http://www.chemspider.com/Chemical-Structure.8187197.html (accessed 03:25, Apr 30, 2024)