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- 9 of 9 defined stereocentres
4-{28-[(3-Furylmethyl)amino]lupa-2,20(29)-dien-3-yl}benzoic acid
CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@H]4[C@]([C@@]3(CC2)C)(CC[C@@H]5[C@@]4(CC=C(C5(C)C)c6ccc(cc6)C(=O)O)C)C)CNCc7ccoc7
InChI=1S/C42H57NO3/c1-27(2)31-14-20-42(26-43-24-28-17-23-46-25-28)22-21-40(6)33(36(31)42)12-13-35-39(5)18-15-32(29-8-10-30(11-9-29)37(44)45)38(3,4)34(39)16-19-41(35,40)7/h8-11,15,17,23,25,31,33-36,43H,1,12-14,16,18-22,24,26H2,2-7H3,(H,44,45)/t31-,33+,34-,35+,36+,39-,40+,41+,42+/m0/s1
FSYJKNBLJILNBF-GXYXSIBPSA-N
CSID:34527041, http://www.chemspider.com/Chemical-Structure.34527041.html (accessed 23:51, Jul 6, 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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