(3β,5β,8α)-3-{[4-O-(α-D-Allopyranosyl)-6-deoxy-3-O-methyl-β-L-mannopyranosyl]oxy}-14,19-dihydroxycard-20(22)-enolide

More details:

• Systematic name

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

• SMILES

  C[C@]12CC[C@H]3[C@H](CC[C@@H]4C[C@H](CC[C@@]43CO)O[C@H]3O[C@@H](C)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]4O)[C@@H](OC)[C@H]3O)[C@@]1(O)CC[C@@H]2C1COC(=O)C=1

• Std. InChi

  InChI=1S/C36H56O14/c1-17-30(50-32-28(42)27(41)26(40)24(14-37)49-32)31(45-3)29(43)33(47-17)48-20-6-10-35(16-38)19(13-20)4-5-23-22(35)7-9-34(2)21(8-11-36(23,34)44)18-12-25(39)46-15-18/h12,17,19-24,26-33,37-38,40-44H,4-11,13-16H2,1-3H3/t17-,19+,20-,21+,22-,23-,24+,26+,27+,28+,29+,30-,31-,32+,33+,34+,35+,36-/m0/s1

• Std. InChIKey

  XTMNBZGYPGOXQO-XGPONEQDSA-N

• Cite this record

  CSID:76818542, http://www.chemspider.com/Chemical-Structure.76818542.html (accessed 21:39, Apr 28, 2024)