(3α,5β,8α,9β,10α,14β,17α,18α)-29-Hydroxy-11,29-dioxoolean-12-en-3-yl 2-O-β-L-glucopyranuronosyl-L-glucopyranosiduronic acid ammoniate (1:1)

More details:

• Systematic name

  (3alpha,5beta,8alpha,9beta,10alpha,14beta,17alpha,18alpha)-29-Hydroxy-11,29-dioxoolean-12-en-3-yl 2-O-beta-L-glucopyranuronosyl-L-glucopyranosiduronic acid ammoniate (1:1)

• SMILES

  N.CC1(C)[C@H]2CC[C@@]3(C)[C@@H](C(=O)C=C4[C@H]5C[C@@](C)(CC[C@@]5(C)CC[C@]34C)C(O)=O)[C@]2(C)CC[C@H]1OC1O[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

• Std. InChi

  InChI=1S/C42H62O16.H3N/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24(45)28(56-34)32(49)50;/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54);1H3/t19-,21-,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35?,38+,39-,40-,41+,42+;/m1./s1

• Std. InChIKey

  ILRKKHJEINIICQ-AEEYIABOSA-N

• Cite this record

  CSID:114391141, http://www.chemspider.com/Chemical-Structure.114391141.html (accessed 18:25, May 3, 2024)