[(2R,3R,4S,6R)-6-[[(3S,9S,10S,13R,14S,16S,17R)-14,16-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-3-[(2S,4S,5S,6R)-4-hydroxy-5-[(2S,4S,5S,6R)-4-hydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-6-methyl-tetrahydropyran-2-yl]oxy-2-methyl-tetrahydropyran-4-yl] acetate

More details:

• Systematic name

  [(2R,3R,4S,6R)-6-[[(3S,9S,10S,13R,14S,16S,17R)-14,16-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-3-[(2S,4S,5S,6R)-4-hydroxy-5-[(2S,4S,5S,6R)-4-hydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-6-methyl-tetrahydropyran-2-yl]oxy-2-methyl-tetrahydropyran-4-yl] acetate

• SMILES

  O=C\1OC/C(=C/1)[C@H]2[C@@H](O)C[C@@]9(O)[C@]2(C)CC[C@H]8C9CCC7[C@]8(C)CC[C@H](O[C@@H]6O[C@H](C)[C@@H](O[C@@H]5O[C@H](C)[C@@H](O[C@@H]4O[C@@H]([C@@H](O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO)[C@@H](O)C4)C)[C@@H](O)C5)[C@@H](OC(=O)C)C6)C7

• Std. InChi

  InChI=1S/C49H76O20/c1-21-43(67-36-16-31(53)44(22(2)62-36)69-46-42(58)41(57)40(56)34(19-50)66-46)30(52)15-37(61-21)68-45-23(3)63-38(17-33(45)64-24(4)51)65-27-9-11-47(5)26(14-27)7-8-29-28(47)10-12-48(6)39(25-13-35(55)60-20-25)32(54)18-49(29,48)59/h13,21-23,26-34,36-46,50,52-54,56-59H,7-12,14-20H2,1-6H3/t21-,22-,23-,26?,27+,28+,29?,30+,31+,32+,33+,34-,36+,37+,38+,39+,40-,41+,42-,43-,44-,45-,46+,47+,48-,49+/m1/s1

• Std. InChIKey

  JKBZFJVYCQNROR-FLKKUCJESA-N

• Cite this record

  CSID:8504069, http://www.chemspider.com/Chemical-Structure.8504069.html (accessed 14:34, May 4, 2024)