Try beta.chemspider
- Double-bond stereo
- 10 of 10 defined stereocentres
- Non-standard isotope
(3alpha,4alpha,5alpha,8alpha,9beta,13alpha,14beta,16beta,17Z)-16-Acetoxy-3,11-dihydroxy-4,8,14-trimethyl(26,26,26,27,27,27-~2~H_6_)-18-norcholesta-17,24-dien-21-oic acid
C([2H])([2H])([2H])C(=CCC/C(=C/1\[C@@H]2C[C@H]([C@H]3[C@@]4(C)CC[C@H]([C@@H](C)[C@@H]4CC[C@]3(C)[C@@]2(C)C[C@@H]1OC(=O)C)O)O)/C(=O)O)C([2H])([2H])[2H] [2H]C([2H])([2H])C(=CCC/C(=C/1\[C@@H]2C[C@H]([C@H]3[C@]4(CC[C@H]([C@H]([C@@H]4CC[C@@]3([C@]2(C[C@@H]1OC(=O)C)C)C)C)O)C)O)/C(=O)O)C([2H])([2H])[2H]
InChI=1S/C31H48O6/c1-17(2)9-8-10-20(28(35)36)26-22-15-24(34)27-29(5)13-12-23(33)18(3)21(29)11-14-30(27,6)31(22,7)16-25(26)37-19(4)32/h9,18,21-25,27,33-34H,8,10-16H2,1-7H3,(H,35,36)/b26-20-/t18-,21-,22-,23+,24+,25-,27-,29-,30-,31-/m0/s1/i1D3,2D3
IECPWNUMDGFDKC-CUNJLYJJSA-N
CSID:58783314, http://www.chemspider.com/Chemical-Structure.58783314.html (accessed 00:47, May 22, 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
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