Ketcher 06132410292D 1 1.00000 0.00000 0 23 26 0 0 0 999 V2000 13.4366 -7.0730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6195 -8.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4366 -5.4549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6195 -5.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0243 -6.2641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8874 -7.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7535 -5.7641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7535 -8.7641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8874 -8.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0214 -6.7641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0214 -8.7641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1554 -7.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6195 -7.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7535 -6.7641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4855 -5.7641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4855 -4.7640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4855 -6.7641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2894 -8.7641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1554 -8.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3027 -4.9549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4366 -4.4550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6194 -4.2641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1686 -4.4550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13 17 1 0 0 0 17 15 1 0 0 0 17 1 1 0 0 0 14 13 1 0 0 0 13 2 1 0 0 0 15 3 1 0 0 0 15 4 1 0 0 0 5 1 1 0 0 0 6 14 1 0 0 0 14 7 1 0 0 0 2 8 1 0 0 0 6 9 1 0 0 0 6 10 1 0 0 0 9 11 2 0 0 0 10 12 1 0 0 0 11 19 1 0 0 0 3 5 1 0 0 0 4 7 1 0 0 0 8 9 1 0 0 0 12 19 1 0 0 0 15 16 1 0 0 0 19 18 2 0 0 0 3 20 1 0 0 0 3 21 1 0 0 0 16 22 1 0 0 0 20 23 3 0 0 0 M END > CHEBI:231594 > 17-ethynyl-17-hydroxy-18a-homoestr-4-en-3-one > A 3-oxo-Δ4 steroid that is gon-4-en-3-one that carries ethyl, hydroxy, and ethynyl groups at positions 13, 17 and 17, respectively. > 3 > 13-ethyl-17-ethynyl-17-hydroxygon-4-en-3-one; 13-ethyl-17-ethynyl-17-hydroxy-4-gonen-3-one > 11a-ethyl-1-ethynyl-1-hydroxy-1,2,3,3a,3b,4,5,8,9,9a,9b,10,11,11a-tetradecahydro-7H-cyclopenta[a]phenanthren-7-one > C21H28O2 > 312.453 > 312.20893 > 0 > CCC12CCC3C(CCC4=CC(=O)CCC34)C1CCC2(O)C#C > InChI=1S/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,13,16-19,23H,3,5-12H2,1H3 > WWYNJERNGUHSAO-UHFFFAOYSA-N $$$$