Try beta.chemspider
- Double-bond stereo
- 3 of 3 defined stereocentres
(9S,10S,10aR)-9-Bromo-10-[(3E)-4,8-dimethyl-3,7-nonadien-1-yl]-10-methyl-7,8,9,10,10a,11-hexahydrodibenzo[b,e]oxepine-2-carboxylic acid
CC(=CCC/C(=C/CC[C@@]1([C@H](CCC2=COc3ccc(cc3C[C@H]21)C(=O)O)Br)C)/C)C
InChI=1S/C27H35BrO3/c1-18(2)7-5-8-19(3)9-6-14-27(4)23-16-22-15-20(26(29)30)10-12-24(22)31-17-21(23)11-13-25(27)28/h7,9-10,12,15,17,23,25H,5-6,8,11,13-14,16H2,1-4H3,(H,29,30)/b19-9+/t23-,25+,27+/m1/s1
QVXPDENFBGGWAY-FXSXARLRSA-N
CSID:23076454, http://www.chemspider.com/Chemical-Structure.23076454.html (accessed 14:41, Jun 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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