(2R,3S,4R,5R,6S)-2-{[(2R,3R,4S,5S,6S)-4,5-Dihydroxy-2-({(3R,6R)-2-hydroxy-6-[(3S,8R,9R,10S,11R,13R,14R)-11-hydroxy-4,4,9,10,13,14-hexamethyl-3-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetr ahydro-2H-pyran-2-yl]oxy}-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-3-heptanyl}oxy)-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahyd ro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-3-yl]oxy}-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol (non-preferred name)

More details:

• Systematic name

  (2R,3S,4R,5R,6S)-2-{[(2R,3R,4S,5S,6S)-4,5-Dihydroxy-2-({(3R,6R)-2-hydroxy-6-[(3S,8R,9R,10S,11R,13R,14R)-11-hydroxy-4,4,9,10,13,14-hexamethyl-3-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetr ahydro-2H-pyran-2-yl]oxy}-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-3-heptanyl}oxy)-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahyd ro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-3-yl]oxy}-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol (non-preferred name)

• SMILES

  C[C@H](CC[C@H](C(C)(C)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)O)C4CC[C@]5([C@@]4(C[C@H]([C@@]6([C@@H]5CC=C7[C@@]6(CC[C@@H](C7(C)C)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C)C)O)C)C

• Std. InChi

  InChI=1S/C54H92O24/c1-22(23-14-16-51(6)28-12-11-27-49(2,3)30(74-44-39(66)35(62)32(59)24(19-55)71-44)15-17-52(27,7)54(28,9)29(58)18-53(23,51)8)10-13-31(50(4,5)70)75-48-43(76-45-40(67)36(63)33(60)25(20-56)72-45)38(65)42(69)47(78-48)77-46-41(68)37(64)34(61)26(21-57)73-46/h11,22-26,28-48,55-70H,10,12-21H2,1-9H3/t22-,23?,24-,25+,26-,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

  YXTRIQPRPZTISG-PKPIFEKVSA-N

• Cite this record

  CSID:44750664, http://www.chemspider.com/Chemical-Structure.44750664.html (accessed 01:25, Apr 18, 2024)