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- 8 of 9 defined stereocentres
Methyl (2alpha)-13-[(3beta,15alpha,20beta)-17-methoxy-17-oxo-19,20-dihydrovobasan-3-yl]ibogamine-18-carboxylate
CC[C@H]1C[C@H]2C[C@@]3([C@H]1[N@](C2)CCc4c3[nH]c5c4ccc(c5)[C@H]6C[C@@H]7[C@@H](CN([C@H](C7C(=O)OC)Cc8c6[nH]c9c8cccc9)C)CC)C(=O)OC
InChI=1S/C42H52N4O4/c1-6-24-16-23-20-42(41(48)50-5)38-29(14-15-46(21-23)39(24)42)28-13-12-26(17-34(28)44-38)31-18-30-25(7-2)22-45(3)35(36(30)40(47)49-4)19-32-27-10-8-9-11-33(27)43-37(31)32/h8-13,17,23-25,30-31,35-36,39,43-44H,6-7,14-16,18-22H2,1-5H3/t23-,24-,25+,30+,31+,35-,36?,39-,42+/m0/s1
PKHROTRJQXGCIW-XIVABZEMSA-N
CSID:28501024, http://www.chemspider.com/Chemical-Structure.28501024.html (accessed 06:24, Apr 28, 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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