Try beta.chemspider
- Double-bond stereo
- 6 of 10 defined stereocentres
(3beta,5xi,9xi,13xi,18xi)-Lup-20(29)-en-3-yl (2E)-3-(3-hydroxy-4-methoxyphenyl)acrylate
O=C(O[C@H]5CC[C@@]4(C3[C@@]([C@]2(C(C1[C@](C)(CC[C@H]1C(=C)\C)CC2)CC3)C)(C)CCC4C5(C)C)C)\C=C\c6ccc(OC)c(O)c6
InChI=1S/C40H58O4/c1-25(2)27-16-19-37(5)22-23-39(7)28(35(27)37)12-14-32-38(6)20-18-33(36(3,4)31(38)17-21-40(32,39)8)44-34(42)15-11-26-10-13-30(43-9)29(41)24-26/h10-11,13,15,24,27-28,31-33,35,41H,1,12,14,16-23H2,2-9H3/b15-11+/t27-,28?,31?,32?,33-,35?,37+,38-,39+,40+/m0/s1
FKPQGZKVKUXBGD-TWCHBQLPSA-N
CSID:9665177, http://www.chemspider.com/Chemical-Structure.9665177.html (accessed 13:18, May 15, 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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