Try beta.chemspider
- 9 of 9 defined stereocentres
4-[(1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-{[2-(1,1-Dioxido-1,2-thiazinan-2-yl)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-octadecahydro -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)NCCN3CCCCS3(=O)=O)C(C)=C)[C@@]2(C)CC=C1C1C=CC(=CC=1)C(O)=O
InChI=1S/C42H62N2O4S/c1-28(2)31-16-21-42(43-24-26-44-25-8-9-27-49(44,47)48)23-22-40(6)33(36(31)42)14-15-35-39(5)19-17-32(29-10-12-30(13-11-29)37(45)46)38(3,4)34(39)18-20-41(35,40)7/h10-13,17,31,33-36,43H,1,8-9,14-16,18-27H2,2-7H3,(H,45,46)/t31-,33+,34-,35+,36+,39-,40+,41+,42-/m0/s1
RWWCTVQYHZBMID-ZTESCHFWSA-N
CSID:90635291, http://www.chemspider.com/Chemical-Structure.90635291.html (accessed 06:04, 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
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