30 33 0 0 1 0 0 0 0 0999 V2000 14.1400 -26.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1400 -28.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3524 -29.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5649 -28.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5649 -26.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3524 -26.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7773 -29.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9897 -28.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9897 -26.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7773 -26.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2022 -26.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2022 -24.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9897 -24.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7773 -24.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6270 -26.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6270 -24.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4146 -24.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5649 -25.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5649 -29.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9897 -25.5500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5669 -24.1512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2022 -23.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4146 -22.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6311 -22.0477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8286 -22.7392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2062 -22.0523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7669 -23.7877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2022 -27.6500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7773 -27.6500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9276 -29.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 1 6 1 0 0 0 4 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 5 10 1 0 0 0 9 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 10 14 1 0 0 0 11 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 12 17 1 0 0 0 5 18 1 1 0 0 4 19 1 1 0 0 9 20 1 1 0 0 14 21 1 1 0 0 12 22 1 1 0 0 17 23 1 0 0 0 23 24 1 0 0 0 24 25 1 0 0 0 23 26 1 1 0 0 17 27 1 6 0 0 11 28 1 6 0 0 10 29 1 6 0 0 2 30 1 6 0 0 M END > CHEBI:3898 > Cortol > 2 > Cortol; alpha-Cortol; 5beta-Pregnane-3alpha,11beta,17,20,21-pentol; 3alpha,11beta,17,20alpha,21-Pentahydroxypregnane; 20alpha-Cortol; (1S,2S,5R,7R,10S,11S,14R,15S,17S)-14-[(1S)-1,2-dihydroxyethyl]-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecane-5,14,17-triol > C21H36O5; C21H36O5 > 368.508 > 368.25627 > 0 > C[C@]12C[C@H](O)[C@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC[C@]2(O)[C@@H](O)CO > InChI=1S/C21H36O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-18,22-26H,3-11H2,1-2H3/t12-,13-,14+,15+,16+,17+,18-,19+,20+,21+/m1/s1 > FFPUNPBUZDTHJI-XPOJVAQCSA-N > 516-38-1 > C05482 > CORTOL > 1172896; 14643447; 15560936 $$$$