(3β,8α,9β,10α,18α)-24,30-Dihydroxy-11,30-dioxoolean-12-en-3-yl 2-O-α-D-altropyranuronosyl-α-L-idopyranosiduronic acid

More details:

• Systematic name

  (2S,3S,4R,5S,6S)-6-[(2R,3R,4S,5S,6R)-2-[[(3S,4S,4aR,6aS,6bS,8aS,11S,12aS,14aS,14bR)-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@](C[C@@H]1C3=CC(=O)[C@H]4[C@@]5(CC[C@@H]([C@]([C@@H]5CC[C@@]4([C@@]3(CC2)C)C)(C)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@@H](O6)C(=O)O)O)O)O[C@@H]7[C@H]([C@@H]([C@@H]([C@H](O7)C(=O)O)O)O)O)C)(C)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+/m1/s1

• Std. InChIKey

  WBQVRPYEEYUEBQ-RYRWOMHZSA-N

• Cite this record

  CSID:58921953, http://www.chemspider.com/Chemical-Structure.58921953.html (accessed 09:16, Apr 26, 2024)