Try beta.chemspider
- Double-bond stereo
- 6 of 8 defined stereocentres
(3beta,5xi,9xi)-3-{[(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoyl]oxy}olean-12-en-28-oic acid
CC1(C)C[C@H]2C3=CCC4[C@@]5(C)CC[C@H](OC(=O)/C=C/C6=CC(O)=C(O)C=C6)C(C)(C)C5CC[C@@]4(C)[C@]3(C)CC[C@]2(CC1)C(O)=O
InChI=1S/C39H54O6/c1-34(2)18-20-39(33(43)44)21-19-37(6)25(26(39)23-34)10-12-30-36(5)16-15-31(35(3,4)29(36)14-17-38(30,37)7)45-32(42)13-9-24-8-11-27(40)28(41)22-24/h8-11,13,22,26,29-31,40-41H,12,14-21,23H2,1-7H3,(H,43,44)/b13-9+/t26-,29?,30?,31-,36-,37+,38+,39-/m0/s1
OJEUMHQEAMVIBI-OQNCSESNSA-N
CSID:84487467, http://www.chemspider.com/Chemical-Structure.84487467.html (accessed 10:22, 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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