Try beta.chemspider
- 10 of 10 defined stereocentres
- Non-standard isotope
Methyl (3beta,5beta,6alpha)-3,6-dihydroxy(2,2,3,4,4-~2~H_5_)cholan-24-oate
C[C@H](CCC(=O)OC)[C@H]1CC[C@H]2[C@@H]3C[C@@H]([C@@H]4C([2H])([2H])[C@]([2H])(C([2H])([2H])C[C@]4(C)[C@H]3CC[C@]12C)O)O [2H][C@@]1(C(C[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3C[C@@H]([C@@H]2C1([2H])[2H])O)CC[C@@H]4[C@H](C)CCC(=O)OC)C)C)([2H])[2H])O
InChI=1S/C25H42O4/c1-15(5-8-23(28)29-4)18-6-7-19-17-14-22(27)21-13-16(26)9-11-25(21,3)20(17)10-12-24(18,19)2/h15-22,26-27H,5-14H2,1-4H3/t15-,16+,17+,18-,19+,20+,21+,22+,24-,25-/m1/s1/i9D2,13D2,16D
BWDRDVHYVJQWBO-NMGPSJQNSA-N
CSID:58782802, http://www.chemspider.com/Chemical-Structure.58782802.html (accessed 21:11, Apr 25, 2024)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00
Click to predict properties on the Chemicalize site
Advertisement
Spotlight