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

More details:

• Systematic name

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

• SMILES

  O=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@]93[C@H](/C2=C/C[C@H]8[C@](C)([C@]2(C)CC3)CC[C@@H]7[C@]8(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O[C@@H]4O[C@H]([C@H](O)[C@@H](O)[C@H]4O)C)C7(C)C)[C@@H](C)[C@H](C)CC9

• Std. InChi

  InChI=1S/C54H88O22/c1-22-11-16-54(49(68)76-46-42(67)38(63)34(59)26(19-55)70-46)18-17-52(7)25(32(54)23(22)2)9-10-30-51(6)14-13-31(50(4,5)29(51)12-15-53(30,52)8)73-47-43(39(64)35(60)27(20-56)71-47)75-48-44(40(65)36(61)28(21-57)72-48)74-45-41(66)37(62)33(58)24(3)69-45/h9,22-24,26-48,55-67H,10-21H2,1-8H3/t22-,23+,24+,26-,27-,28-,29+,30-,31+,32+,33+,34-,35-,36-,37-,38+,39+,40+,41-,42-,43-,44-,45+,46+,47+,48+,51+,52-,53-,54+/m1/s1

• Std. InChIKey

  SZSMHWMWSZHOBG-VMUYHXEXSA-N

• Cite this record

  CSID:8436079, http://www.chemspider.com/Chemical-Structure.8436079.html (accessed 20:31, Apr 28, 2024)