Mrv0541 02261516452D 34 37 0 0 1 0 999 V2000 -2.1733 -0.4151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8959 -0.8118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8959 -1.6509 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1733 -2.0631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4736 -1.6509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7587 -2.0631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0279 -1.6509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4736 -0.8118 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7587 0.3930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0279 0.8130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6718 0.3930 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6718 -0.4151 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4565 -0.6719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9228 -0.0188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4565 0.6494 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6718 1.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4736 -0.0033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6718 -1.2469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1796 1.0539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6291 -2.0818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7587 -0.4151 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7587 -1.2405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7421 1.9093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0279 -0.8118 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0279 0.0134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5999 1.9093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3144 1.4968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3144 0.6718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0289 1.9093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0289 2.7342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8855 1.4968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1710 1.9093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4565 1.4968 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7434 1.4968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12 11 1 0 0 0 0 15 11 1 0 0 0 0 10 11 1 0 0 0 0 11 16 1 1 0 0 0 24 12 1 0 0 0 0 13 12 1 0 0 0 0 12 18 1 6 0 0 0 9 21 1 0 0 0 0 8 21 1 0 0 0 0 24 21 1 0 0 0 0 7 24 1 0 0 0 0 5 8 1 0 0 0 0 8 17 1 1 0 0 0 1 8 1 0 0 0 0 14 15 1 0 0 0 0 33 15 1 0 0 0 0 15 19 1 6 0 0 0 9 10 1 0 0 0 0 14 13 1 0 0 0 0 6 7 1 0 0 0 0 4 5 1 0 0 0 0 6 5 2 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 3 2 1 0 0 0 0 3 20 1 1 0 0 0 21 22 1 6 0 0 0 33 23 1 6 0 0 0 24 25 1 1 0 0 0 26 31 1 0 0 0 0 27 26 1 0 0 0 0 28 27 1 0 0 0 0 29 27 1 0 0 0 0 29 30 2 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 29 34 1 0 0 0 0 M END > CHEBI:84145 > 3beta-hydroxycholest-5-en-26-al > A 26-oxo steroid resulting from the oxidation of one of the terminal methyl groups of cholesterol to the corresponding aldehyde. > 3 > (3beta)-hydroxy-cholest-5-en-26-al > (3beta)-hydroxycholest-5-en-26-al > C27H44O2 > 400.63710 > 400.33413 > 0 > CC(CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C=O > InChI=1S/C27H44O2/c1-18(17-28)6-5-7-19(2)23-10-11-24-22-9-8-20-16-21(29)12-14-26(20,3)25(22)13-15-27(23,24)4/h8,17-19,21-25,29H,5-7,9-16H2,1-4H3/t18?,19-,21+,22+,23-,24+,25+,26+,27-/m1/s1 > JUGXQEJPWDYOJV-CCDZVGGQSA-N > 8008227 > 20843794 $$$$