Try beta.chemspider
- 6 of 7 defined stereocentres
Methyl (10alpha,13xi,17alpha,18alpha)-2-cyano-3,12-dioxooleana-1,9(11)-dien-28-oate
CC1(C)CC[C@]2(CC[C@]3(C)C([C@H]2C1)C(=O)C=C4[C@]5(C)C=C(C#N)C(=O)C(C)(C)[C@@H]5CC[C@]43C)C(=O)OC C[C@@]12CC[C@@]3(CCC(C[C@@H]3C1C(=O)C=C4[C@]2(CC[C@@H]5[C@]4(C=C(C(=O)C5(C)C)C#N)C)C)(C)C)C(=O)OC
InChI=1S/C32H43NO4/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/h15-16,20,22,24H,9-14,17H2,1-8H3/t20-,22+,24?,29-,30-,31-,32-/m1/s1
WPTTVJLTNAWYAO-SHPFTRIMSA-N
CSID:58785523, http://www.chemspider.com/Chemical-Structure.58785523.html (accessed 04:58, Apr 30, 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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