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- Double-bond stereo
- 9 of 10 defined stereocentres
(3beta,18xi)-3-{[(2E)-3-(3,4-Dihydroxyphenyl)-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@@H](C1[C@](C(=O)O)(CC[C@H]1C(=C)\C)CC2)CC3)C)(C)CC[C@H]4C5(C)C)C)\C=C\c6ccc(O)c(O)c6
InChI=1S/C39H54O6/c1-23(2)25-14-19-39(34(43)44)21-20-37(6)26(33(25)39)10-12-30-36(5)17-16-31(35(3,4)29(36)15-18-38(30,37)7)45-32(42)13-9-24-8-11-27(40)28(41)22-24/h8-9,11,13,22,25-26,29-31,33,40-41H,1,10,12,14-21H2,2-7H3,(H,43,44)/b13-9+/t25-,26+,29-,30+,31-,33?,36-,37+,38+,39-/m0/s1
MNUNUJQYFJZRHQ-UUVUOUDQSA-N
CSID:8343479, http://www.chemspider.com/Chemical-Structure.8343479.html (accessed 18:04, May 22, 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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