Try beta.chemspider
- Double-bond stereo
- 7 of 10 defined stereocentres
(3beta,5xi,13xi,18xi)-3-{[(2Z)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoyl]oxy}lup-20(29)-en-28-oic acid
O=C(O[C@H]5CC[C@@]4([C@@H]3[C@@]([C@]2(C(C1[C@](C(=O)O)(CC[C@H]1C(=C)\C)CC2)CC3)C)(C)CCC4C5(C)C)C)/C=C\c6ccc(O)c(OC)c6
InChI=1S/C40H56O6/c1-24(2)26-15-20-40(35(43)44)22-21-38(6)27(34(26)40)11-13-31-37(5)18-17-32(36(3,4)30(37)16-19-39(31,38)7)46-33(42)14-10-25-9-12-28(41)29(23-25)45-8/h9-10,12,14,23,26-27,30-32,34,41H,1,11,13,15-22H2,2-8H3,(H,43,44)/b14-10-/t26-,27?,30?,31+,32-,34?,37-,38+,39+,40-/m0/s1
UXUVZTGGSMRNDQ-OEDXBSJYSA-N
CSID:9562967, http://www.chemspider.com/Chemical-Structure.9562967.html (accessed 06:30, Jun 14, 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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