Try beta.chemspider
- 9 of 10 defined stereocentres
4-[(1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-({2-[(1,1-Dioxidotetrahydro-3-thiophenyl)amino]ethyl}amino)-1-isopropenyl-5a,5b,8,8,11a-pentamethyl-2,3,3a,4,5,5a,5b,6,7,7a,8,11,11a,11b,12,13,13a,13b-oc tadecahydro-1H-cyclopenta[a]chrysen-9-yl]benzoic acid
CC1(C)[C@@H]2CC[C@]3(C)[C@H](CC[C@@H]4[C@H]5[C@@H](CC[C@@]5(CC[C@@]34C)NCCNC3CS(=O)(=O)CC3)C(C)=C)[C@@]2(C)CC=C1C1=CC=C(C=C1)C(O)=O
InChI=1S/C42H62N2O4S/c1-27(2)31-14-20-42(44-24-23-43-30-17-25-49(47,48)26-30)22-21-40(6)33(36(31)42)12-13-35-39(5)18-15-32(28-8-10-29(11-9-28)37(45)46)38(3,4)34(39)16-19-41(35,40)7/h8-11,15,30-31,33-36,43-44H,1,12-14,16-26H2,2-7H3,(H,45,46)/t30?,31-,33+,34-,35+,36+,39-,40+,41+,42-/m0/s1
HVZSRQJUPWRYIT-GXGRAQDDSA-N
CSID:90634580, http://www.chemspider.com/Chemical-Structure.90634580.html (accessed 05:36, Jun 1, 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