[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] (1R,2R,4aS,6aR,6aS,6bR,10S,12aR)-10-[(2R,3R,4S,5S)-3-acetoxy-4-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-5-hydroxy-tetrahydropyran-2-yl]oxy-1-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate

More details:

• Systematic name

  [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] (1R,2R,4aS,6aR,6aS,6bR,10S,12aR)-10-[(2R,3R,4S,5S)-3-acetoxy-4-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-5-hydroxy-tetrahydropyran-2-yl]oxy-1-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate

• SMILES

  O=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@]98CC[C@@]2(/C(=C\C[C@H]7[C@@]2(C)CCC6[C@]7(C)CC[C@H](O[C@H]5OC[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H]5OC(=O)C)C6(C)C)C8[C@@](O)(C)[C@H](C)CC9)C

• Std. InChi

  InChI=1S/C54H86O23/c1-23-11-16-54(48(67)77-45-39(66)36(63)34(61)28(19-55)72-45)18-17-51(6)25(43(54)53(23,8)68)9-10-31-50(5)14-13-32(49(3,4)30(50)12-15-52(31,51)7)74-46-42(71-24(2)57)40(27(59)22-70-46)75-47-41(37(64)35(62)29(20-56)73-47)76-44-38(65)33(60)26(58)21-69-44/h9,23,26-47,55-56,58-66,68H,10-22H2,1-8H3/t23-,26-,27+,28-,29-,30?,31-,32+,33+,34-,35-,36+,37+,38-,39-,40+,41-,42-,43?,44+,45+,46-,47+,50+,51-,52-,53-,54+/m1/s1

• Std. InChIKey

  GQLXXAPPKLHNPO-MQBDANLRSA-N

• Cite this record

  CSID:8187019, http://www.chemspider.com/Chemical-Structure.8187019.html (accessed 10:18, Jun 16, 2024)