Try beta.chemspider
- Double-bond stereo
- 12 of 12 defined stereocentres
(2alpha,3beta)-2,23-Dihydroxy-3-{[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]oxy}urs-12-en-28-oic acid
O=C(O)[C@@]65[C@H](/C4=C/C[C@@H]3[C@]2(C[C@@H](O)[C@H](OC(=O)\C=C\c1ccc(O)cc1)[C@@]([C@@H]2CC[C@@]3(C)[C@]4(C)CC5)(C)CO)C)[C@@H](C)[C@H](C)CC6
InChI=1S/C39H54O7/c1-23-15-18-39(34(44)45)20-19-37(5)27(32(39)24(23)2)12-13-30-35(3)21-28(42)33(36(4,22-40)29(35)16-17-38(30,37)6)46-31(43)14-9-25-7-10-26(41)11-8-25/h7-12,14,23-24,28-30,32-33,40-42H,13,15-22H2,1-6H3,(H,44,45)/b14-9+/t23-,24+,28-,29-,30-,32+,33+,35+,36+,37-,38-,39+/m1/s1
WKVZBLIEJQJTCN-KJVBOBAHSA-N
CSID:8074419, http://www.chemspider.com/Chemical-Structure.8074419.html (accessed 13:05, May 28, 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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