Nipponoside B

More details:

• Systematic name

  [(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxymethyl]-3,4,5-trihydroxy-tetrahydropyran-2-yl] (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate

• SMILES

  O=C(O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO[C@@H]3O[C@@H]([C@@H](O[C@@H]2O[C@H]([C@H](O)[C@@H](O)[C@H]2O)C)[C@H](O)[C@H]3O)CO)[C@@]97[C@H](/C6=C/C[C@@H]5[C@@]8(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@@H]8CC[C@@]5(C)[C@]6(C)CC7)CC(C)(C)CC9

• Std. InChi

  InChI=1S/C54H88O22/c1-23-32(57)35(60)39(64)45(70-23)75-43-27(21-56)72-44(42(67)38(43)63)69-22-28-34(59)37(62)41(66)47(73-28)76-48(68)54-17-15-49(2,3)19-25(54)24-9-10-30-51(6)13-12-31(74-46-40(65)36(61)33(58)26(20-55)71-46)50(4,5)29(51)11-14-53(30,8)52(24,7)16-18-54/h9,23,25-47,55-67H,10-22H2,1-8H3/t23-,25-,26+,27+,28+,29-,30+,31-,32-,33+,34+,35+,36-,37-,38+,39+,40+,41+,42+,43+,44+,45-,46-,47-,51-,52+,53+,54-/m0/s1

• Std. InChIKey

  QSPJXHNFLIWZMQ-XSTDHCFXSA-N

• Cite this record

  CSID:8995298, http://www.chemspider.com/Chemical-Structure.8995298.html (accessed 22:19, Apr 28, 2024)