(3S,3'R,4S,5R,5'R,10S,13S,14S,17S)-3-{[(2R,3R,4S,5S,6R)-6-({[(2S,3R,4S,5S)-3-{[(2S,3R,4S,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl]o xy}tetrahydro-2H-pyran-2-yl]oxy}-4,5-dihydroxytetrahydro-2H-pyran-2-yl]oxy}methyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]oxy}-4-(hydroxymethyl)-3',4,10,13,14-pentamethyl-5'-propionyl-1,2,3,4,4',5,5 ',6,7,10,11,12,13,14-tetradecahydro-3'H-spir

More details:

• Systematic name

  (3S,3'R,4S,5R,5'R,10S,13S,14S,17S)-3-{[(2R,3R,4S,5S,6R)-6-({[(2S,3R,4S,5S)-3-{[(2S,3R,4S,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl]o xy}tetrahydro-2H-pyran-2-yl]oxy}-4,5-dihydroxytetrahydro-2H-pyran-2-yl]oxy}methyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]oxy}-4-(hydroxymethyl)-3',4,10,13,14-pentamethyl-5'-propionyl-1,2,3,4,4',5,5 ',6,7,10,11,12,13,14-tetradecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-15(16H)-one

• SMILES

  CCC(=O)[C@H]1C[C@H]([C@@]2(O1)CC(=O)[C@@]3([C@@]2(CCC4=C3CC[C@@H]5[C@@]4(CC[C@@H]([C@]5(C)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO[C@H]7[C@@H]([C@H]([C@H](CO7)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)O)O)O)O)O)C)C)C)C

• Std. InChi

  InChI=1S/C52H82O23/c1-8-25(55)27-15-21(2)52(75-27)16-31(57)51(7)24-9-10-30-48(4,23(24)11-14-50(51,52)6)13-12-32(49(30,5)20-54)72-45-41(66)38(63)36(61)29(71-45)19-68-46-42(34(59)26(56)18-67-46)74-47-43(39(64)35(60)28(17-53)70-47)73-44-40(65)37(62)33(58)22(3)69-44/h21-22,26-30,32-47,53-54,56,58-66H,8-20H2,1-7H3/t21-,22+,26+,27-,28-,29-,30-,32+,33+,34+,35-,36-,37-,38+,39+,40-,41-,42-,43-,44+,45+,46+,47+,48-,49-,50+,51-,52+/m1/s1

• Std. InChIKey

  POPCDORNWGKDIG-ZQWSIDIDSA-N

• Cite this record

  CSID:9484218, http://www.chemspider.com/Chemical-Structure.9484218.html (accessed 03:24, Apr 19, 2024)