Try beta.chemspider
- Double-bond stereo
- 4 of 5 defined stereocentres
(1R,3R,7E,14xi)-17-{(1S)-1-[(6-Ethyl-6-hydroxyoctyl)sulfanyl]ethyl}-9,10-secoestra-5,7,16-triene-1,3-diol
CCC(CC)(CCCCCS[C@@H](C)C1=CCC\2[C@@]1(CCC/C2=C\C=C3C[C@H](C[C@@H](C3)O)O)C)O
InChI=1S/C30H50O3S/c1-5-30(33,6-2)17-8-7-9-18-34-22(3)27-14-15-28-24(11-10-16-29(27,28)4)13-12-23-19-25(31)21-26(32)20-23/h12-14,22,25-26,28,31-33H,5-11,15-21H2,1-4H3/b24-13+/t22-,25+,26+,28?,29+/m0/s1
WPGNCRRPHJBMEM-NSOWMMPKSA-N
CSID:28942534, http://www.chemspider.com/Chemical-Structure.28942534.html (accessed 22:48, Jul 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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