Try beta.chemspider
- Double-bond stereo
- 11 of 11 defined stereocentres
(3alpha,5alpha,7alpha,12alpha)-3,12-Bis{[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]oxy}-7-hydroxycholan-24-oic acid
O=C(O[C@H]5C[C@H]4[C@]([C@@H]3[C@H]([C@@H]1CC[C@H]([C@H](C)CCC(=O)O)[C@@]1(C)[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)C3)[C@H](O)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(42(28,29)3)53-39(51)15-8-25-6-12-32(44)34(46)19-25)41(2)17-16-27(20-26(41)21-35(40)47)52-38(50)14-7-24-5-11-31(43)33(45)18-24/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
GDWCUXSZDIXFCY-SBOUIMGESA-N
CSID:9226044, http://www.chemspider.com/Chemical-Structure.9226044.html (accessed 22:06, Apr 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
Advertisement
Spotlight