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- 6 of 7 defined stereocentres
Methyl (5xi,18alpha)-2-cyano-3-hydroxy-12-oxooleana-2,9(11)-dien-28-oate
C[C@@]12CC[C@]3(CCC(C[C@@H]3[C@H]1C(=O)C=C4[C@]2(CCC5[C@@]4(CC(=C(C5(C)C)O)C#N)C)C)(C)C)C(=O)OC
InChI=1S/C32H45NO4/c1-27(2)11-13-32(26(36)37-8)14-12-31(7)24(20(32)17-27)21(34)15-23-29(5)16-19(18-33)25(35)28(3,4)22(29)9-10-30(23,31)6/h15,20,22,24,35H,9-14,16-17H2,1-8H3/t20-,22?,24+,29+,30-,31-,32+/m1/s1
IVZDMJHGZKCMBW-OROHISIGSA-N
CSID:29211956, http://www.chemspider.com/Chemical-Structure.29211956.html (accessed 06:32, Jun 5, 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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