- Double-bond stereo
- 11 of 11 defined stereocentres
(3alpha,5alpha,7alpha,12alpha)-3,7-Bis{[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]oxy}-12-hydroxycholan-24-oic acid
O=C(O[C@H]5C[C@H]4[C@]([C@@H]2[C@H]([C@@H]1CC[C@H]([C@H](C)CCC(=O)O)[C@@]1(C)[C@@H](O)C2)[C@H](OC(=O)\C=C\c3ccc(O)c(O)c3)C4)(C)CC5)\C=C\c6ccc(O)c(O)c6
InChI=1S/C42H52O11/c1-23(4-13-37(48)49)28-9-10-29-40-30(22-36(47)42(28,29)3)41(2)17-16-27(52-38(50)14-7-24-5-11-31(43)33(45)18-24)20-26(41)21-35(40)53-39(51)15-8-25-6-12-32(44)34(46)19-25/h5-8,11-12,14-15,18-19,23,26-30,35-36,40,43-47H,4,9-10,13,16-17,20-22H2,1-3H3,(H,48,49)/b14-7+,15-8+/t23-,26-,27-,28-,29+,30+,35-,36+,40+,41+,42-/m1/s1
YKDIFIYQMWEPKW-SBOUIMGESA-N
CSID:9040772, http://www.chemspider.com/Chemical-Structure.9040772.html (accessed 14:50, Apr 20, 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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