Try beta.chemspider
- Double-bond stereo
- 12 of 12 defined stereocentres
(2alpha,3beta)-2,3,19-Trihydroxy-23-{[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]oxy}urs-12-en-28-oic acid
C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@H]([C@@H]([C@@]5(C)COC(=O)/C=C/c6ccc(cc6)O)O)O)C)C)[C@@H]2[C@]1(C)O)C)C(=O)O
InChI=1S/C39H54O8/c1-23-15-18-39(33(44)45)20-19-36(4)26(31(39)38(23,6)46)12-13-29-34(2)21-27(41)32(43)35(3,28(34)16-17-37(29,36)5)22-47-30(42)14-9-24-7-10-25(40)11-8-24/h7-12,14,23,27-29,31-32,40-41,43,46H,13,15-22H2,1-6H3,(H,44,45)/b14-9+/t23-,27-,28-,29-,31-,32+,34+,35+,36-,37-,38-,39+/m1/s1
SWEBUECVVVXRRV-NUKDMGCPSA-N
CSID:24708698, http://www.chemspider.com/Chemical-Structure.24708698.html (accessed 06:28, Jun 6, 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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