(3α,9β)-24,30-Dihydroxy-11,30-dioxoolean-12-en-3-yl 2-O-β-D-altropyranuronosyl-α-L-mannopyranosiduronic acid

More details:

• Systematic name

  (2S,3S,4R,5S,6R)-6-[(2R,3R,4R,5R,6R)-2-[[(3R,4S,4aR,6aR,6bS,8aS,11S,12aR,14aS,14bS)-11-carboxy-4-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxy-tetrahydropyran-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid

• SMILES

  C[C@@]12CC[C@@]3(C)CC[C@@](C)(C[C@H]3C1=CC(=O)[C@@H]1[C@@]2(C)CC[C@H]2[C@@](C)(CO)[C@@H](CC[C@@]21C)O[C@@H]1O[C@H]([C@H](O)[C@@H](O)[C@H]1O[C@@H]1O[C@@H]([C@@H](O)[C@@H](O)[C@@H]1O)C(O)=O)C(O)=O)C(O)=O

• Std. InChi

  InChI=1S/C42H62O17/c1-37-11-12-38(2,36(54)55)16-19(37)18-15-20(44)31-39(3)9-8-22(40(4,17-43)21(39)7-10-42(31,6)41(18,5)14-13-37)56-35-30(26(48)25(47)29(58-35)33(52)53)59-34-27(49)23(45)24(46)28(57-34)32(50)51/h15,19,21-31,34-35,43,45-49H,7-14,16-17H2,1-6H3,(H,50,51)(H,52,53)(H,54,55)/t19-,21+,22+,23+,24-,25+,26+,27-,28-,29+,30+,31-,34-,35+,37+,38-,39-,40+,41+,42+/m0/s1

• Std. InChIKey

  WBQVRPYEEYUEBQ-CCQFQPJZSA-N

• Cite this record

  CSID:76818770, http://www.chemspider.com/Chemical-Structure.76818770.html (accessed 17:39, Apr 16, 2024)