(3β)-3-Hydroxy(2,2,3-²H₃)urs-12-en-28-oic acid

More details:

• Systematic name

  (3beta)-3-Hydroxy(2,2,3-~2~H_3_)urs-12-en-28-oic acid

• SMILES

  C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC([2H])([2H])[C@@]([2H])(C(C)(C)[C@@H]5CC[C@]43C)O)[C@@H]2[C@H]1C)C(=O)O [2H][C@@]1(C(C[C@]2([C@H](C1(C)C)CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4[C@H]([C@@H](CC5)C)C)C(=O)O)C)C)C)([2H])[2H])O

• Std. InChi

  InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1/i12D2,23D

• Std. InChIKey

  WCGUUGGRBIKTOS-KQWGMBBBSA-N

• Cite this record

  CSID:58785748, http://www.chemspider.com/Chemical-Structure.58785748.html (accessed 12:42, May 20, 2024)