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- 7 of 8 defined stereocentres
Methyl N-(4-{[(11beta)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)-3-nitrotyrosinate
C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)COC(=O)CCC(=O)NC(Cc5ccc(c(c5)[N+](=O)[O-])O)C(=O)OC)O)C)O
InChI=1S/C35H44N2O12/c1-33-12-10-21(38)16-20(33)5-6-22-23-11-13-35(45,34(23,2)17-27(40)31(22)33)28(41)18-49-30(43)9-8-29(42)36-24(32(44)48-3)14-19-4-7-26(39)25(15-19)37(46)47/h4,7,15-16,22-24,27,31,39-40,45H,5-6,8-14,17-18H2,1-3H3,(H,36,42)/t22-,23-,24?,27-,31+,33-,34-,35-/m0/s1
JYOBYKXWDWDTOD-KSZWBPPZSA-N
CSID:17467326, http://www.chemspider.com/Chemical-Structure.17467326.html (accessed 03:50, Jul 4, 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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