(2S,3S,4S,5R,6R)-6-[[(3S,4S,6aR,6bS,8aR,9R,12aS,14aR,14bR)-4-(hydroxymethyl)-9-(3-hydroxy-3-oxo-propanoyl)oxy-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2S,3R,4S,5R,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-3,4-dihydroxy-tetrahydropyran-2-carboxylic acid

More details:

• Systematic name

  (2S,3S,4S,5R,6R)-6-[[(3S,4S,6aR,6bS,8aR,9R,12aS,14aR,14bR)-4-(hydroxymethyl)-9-(3-hydroxy-3-oxo-propanoyl)oxy-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2S,3R,4S,5R,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-3,4-dihydroxy-tetrahydropyran-2-carboxylic acid

• SMILES

  O=C(O)CC(=O)O[C@@H]3CC(C)(C)C[C@H]2/C1=C/C[C@H]8[C@](C)([C@]1(C)CC[C@]23C)CCC7[C@]8(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[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)[C@]7(C)CO

• Std. InChi

  InChI=1S/C51H80O21/c1-22-32(57)34(59)38(63)43(66-22)71-40-35(60)33(58)25(20-52)67-44(40)72-41-37(62)36(61)39(42(64)65)70-45(41)69-28-12-13-48(5)26(49(28,6)21-53)11-14-51(8)27(48)10-9-23-24-18-46(2,3)19-29(68-31(56)17-30(54)55)47(24,4)15-16-50(23,51)7/h9,22,24-29,32-41,43-45,52-53,57-63H,10-21H2,1-8H3,(H,54,55)(H,64,65)/t22-,24-,25+,26?,27+,28-,29+,32-,33-,34+,35-,36-,37-,38+,39-,40+,41+,43-,44-,45+,47+,48-,49+,50+,51+/m0/s1

• Std. InChIKey

  UZZVCPOZXWRBFO-QYZFXRCVSA-N

• Cite this record

  CSID:8757277, http://www.chemspider.com/Chemical-Structure.8757277.html (accessed 00:22, Apr 19, 2024)