Mrv0541 02241212482D 24 27 0 0 0 0 999 V2000 3.8598 2.4186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3228 1.7357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9629 0.9934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4311 1.6241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6190 1.4789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3387 0.7029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8705 0.0722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6826 0.2174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3340 -0.2889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0168 0.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7875 0.9666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5484 1.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3093 1.6043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9089 1.7826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5902 -0.7037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7781 -0.8489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2463 -0.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4342 -0.3634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0976 0.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9098 0.1221 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1901 -0.6539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1827 1.0432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9948 1.1884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5266 0.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 3 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 3 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 3 0 0 0 0 11 14 1 0 0 0 0 7 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 4 0 0 0 19 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 6 24 1 0 0 0 0 17 24 1 0 0 0 0 M END > DB06713 > drugbank > CCC12CCC3C(CCC4=CC(CCC34)=NO)C1CCC2(O)C#C > InChI=1S/C21H29NO2/c1-3-20-11-9-17-16-8-6-15(22-24)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,13,16-19,23-24H,3,5-12H2,1H3/b22-15- > InChIKey=ISHXLNHNDMZNMC-JCMHNJIXSA-N > 3 > 38.53210007724397 > 1 > 2 > 327.219829177 > 0 > C21H29NO2 > 1 > 15-ethyl-14-ethynyl-5-(hydroxyimino)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-14-ol > 3.18 > 3.671276388333333 > -4.73 > 327.4605 > 0 > 4 > 0 > 17.909290746374918 > 11.466128004560874 > 3.1152818968924207 > 52.82000000000001 > 95.84719999999999 > 1 > 1 > 6.05e-03 g/l > 15-ethyl-14-ethynyl-5-(hydroxyimino)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-14-ol > 0 > DB06713 > approved > Norelgestromin $$$$