Ketcher 11131916042D 1 1.00000 0.00000 0 35 39 0 1 0 999 V2000 19.2442 -12.6030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1152 -13.1064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3777 -13.1110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2352 -11.5912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9907 -12.5939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0740 -14.1635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3777 -14.1089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5158 -12.6165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1107 -11.0832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9952 -11.5823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9478 -12.9021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2533 -14.6079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5158 -14.6127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6586 -13.1110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9570 -11.2738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9907 -10.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5421 -12.0993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6586 -14.1089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8010 -14.5989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9490 -10.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7913 -9.7237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6612 -10.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5310 -9.7237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4009 -10.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2709 -9.7237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4009 -11.2304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0790 -9.7685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3777 -14.9924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.9907 -13.5984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9600 -11.3263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0170 -15.4831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0126 -15.4819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5137 -16.3524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3828 -12.1019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1134 -12.1019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 2 6 1 0 0 0 3 7 1 0 0 0 3 8 1 0 0 0 4 9 1 0 0 0 5 10 1 0 0 0 5 11 1 0 0 0 6 12 1 0 0 0 7 13 1 0 0 0 8 14 1 0 0 0 10 15 1 0 0 0 10 16 1 1 0 0 11 17 1 0 0 0 13 18 1 0 0 0 18 19 1 1 0 0 7 12 1 0 0 0 9 10 1 0 0 0 14 18 1 0 0 0 15 17 1 0 0 0 15 20 1 0 0 0 20 21 1 0 0 0 22 23 1 0 0 0 23 24 2 0 0 0 24 25 1 0 0 0 21 22 1 0 0 0 24 26 1 0 0 0 20 27 1 6 0 0 7 28 1 6 0 0 5 29 1 6 0 0 15 30 1 6 0 0 13 31 1 0 0 0 13 32 1 1 0 0 31 33 2 0 0 0 3 34 1 1 0 0 1 34 1 1 0 0 2 35 1 1 0 0 M END > CHEBI:142845 > 4alpha-formyl-4beta,14alpha-dimethyl-9beta,19-cyclo-5alpha-cholest-24-en-3beta-ol > A 3β-hydroxy-4α-formyl-4β-methylsteroid that is 9β-9,19-cyclolanost-24-ene-3β,28-diol in which the hydroxy group at position 28 has been oxidised to the corresponding aldehyde. > 3 > 4alpha-formyl-4beta,14alpha-dimethyl-9beta,19-cyclo-5alpha-cholest-24-en-3beta-ol > C30H48O2 > 440.712 > 440.36543 > 0 > [C@]123[C@]([C@]4([C@]([C@](CC4)([C@@H](CCC=C(C)C)C)[H])(C)CC1)C)(CC[C@@]5([C@@]2(CC[C@@H]([C@]5(C=O)C)O)C3)[H])[H] > InChI=1S/C30H48O2/c1-20(2)8-7-9-21(3)22-12-14-28(6)24-11-10-23-26(4,19-31)25(32)13-15-29(23)18-30(24,29)17-16-27(22,28)5/h8,19,21-25,32H,7,9-18H2,1-6H3/t21-,22-,23+,24+,25+,26+,27-,28+,29-,30+/m1/s1 > HPCOTHKWIJPKNI-BPYUMQNDSA-N > CPD-12918 > 8505296; 9240456 $$$$