- Double-bond stereo
- 5 of 11 defined stereocentres
(3alpha,7alpha,8xi,9xi,12alpha,14xi,17xi,20xi)-3,7-Bis{[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]oxy}-12-hydroxycholan-24-oic acid
CC(CCC(O)=O)C1CCC2C3C(C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@H](CC1C[C@H]3OC(=O)/C=C/C1=CC(O)=C(O)C=C1)OC(=O)/C=C/C1=CC(O)=C(O)C=C1
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-HFWNCPIQSA-N
CSID:5254736, http://www.chemspider.com/Chemical-Structure.5254736.html (accessed 15:22, Mar 29, 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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