(3β,18α)-3-[(2-Acetamido-2-deoxy-β-D-glucopyranosyl)oxy]olean-12-en-28-oic acid

More details:

• Systematic name

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

• SMILES

  CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2CC[C@]3([C@H](C2(C)C)CC[C@@]4([C@@H]3CC=C5[C@]4(CC[C@@]6([C@@H]5CC(CC6)(C)C)C(=O)O)C)C)C)CO)O)O

• Std. InChi

  InChI=1S/C38H61NO8/c1-21(41)39-28-30(43)29(42)24(20-40)46-31(28)47-27-12-13-35(6)25(34(27,4)5)11-14-37(8)26(35)10-9-22-23-19-33(2,3)15-17-38(23,32(44)45)18-16-36(22,37)7/h9,23-31,40,42-43H,10-20H2,1-8H3,(H,39,41)(H,44,45)/t23-,24-,25+,26-,27+,28-,29-,30-,31+,35+,36-,37-,38+/m1/s1

• Std. InChIKey

  VRFWJSCLROXBBW-XLUVLVBOSA-N

• Cite this record

  CSID:24712518, http://www.chemspider.com/Chemical-Structure.24712518.html (accessed 10:20, Apr 20, 2024)