Try beta.chemspider
- Double-bond stereo
- 10 of 10 defined stereocentres
(3alpha,5beta,8alpha,9beta,10alpha,13alpha,14beta,17alpha,18beta,19beta)-3-{[(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoyl]oxy}lup-20(29)-en-28-oic acid
CC1(C)[C@@H](CC[C@]2(C)[C@@H]1CC[C@@]1(C)[C@H]2CC[C@H]2[C@@H]3[C@H](CC[C@]3(CC[C@]12C)C(O)=O)C(C)=C)OC(=O)/C=C/C1=CC(O)=C(O)C=C1
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-/m1/s1
MNUNUJQYFJZRHQ-CJLFXVPHSA-N
CSID:111307713, http://www.chemspider.com/Chemical-Structure.111307713.html (accessed 12:56, 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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