Ketcher 05171611422D 1 1.00000 0.00000 0 32 34 0 1 0 999 V2000 10.7130 -3.7908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7130 -5.7908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5300 -5.5998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1178 -4.7908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8469 -4.2907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7130 -6.7908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8469 -5.2908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8469 -7.2908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8469 -8.2907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6639 -2.4818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5300 -2.9816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3961 -2.4818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2620 -2.9816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8602 -2.4818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9940 -3.9816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5300 -3.9816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3961 -3.4818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5791 -5.2908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5791 -6.2908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5791 -4.2907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5791 -3.2907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9940 -2.9816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1281 -2.4818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5300 -1.9816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2619 -3.9816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7130 -8.7907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7130 -9.7907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8469 -10.2907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9809 -8.7907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9809 -9.7907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5790 -8.2907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1148 -10.2907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18 20 1 0 0 0 20 16 1 0 0 0 20 1 1 0 0 0 18 2 1 0 0 0 18 3 1 0 0 0 16 4 1 0 0 0 1 5 1 0 0 0 2 6 2 0 0 0 2 7 1 0 0 0 6 8 1 0 0 0 8 9 2 0 0 0 3 4 1 0 0 0 5 7 1 0 0 0 16 11 1 0 0 0 11 10 1 6 0 0 11 12 1 0 0 0 12 13 1 0 0 0 13 23 1 0 0 0 23 22 1 0 0 0 22 14 1 0 0 0 22 15 1 0 0 0 16 17 1 6 0 0 18 19 1 6 0 0 20 21 1 1 0 0 11 24 1 1 0 0 13 25 1 0 0 0 27 26 1 0 0 0 9 26 1 0 0 0 28 27 1 0 0 0 29 9 1 0 0 0 30 28 1 0 0 0 30 29 1 0 0 0 26 31 2 0 0 0 30 32 1 6 0 0 M END > CHEBI:91306 > (20S,23)-dihydroxyvitamin D3 > A hydroxycalciol that consists of vitamin D3 (calciol) carrying additional hydroxy groups at positions 20 (with S-configuration) and 23. > 3 > 20S,23-dihydroxyvitamin D3; 20S,23-dihydroxycholecalciferol; 20S,23(OH)2D3 > (3S,5Z,7E)-9,10-secocholesta-5,7,10-triene-3,20,23-triol > C27H44O3 > 416.637 > 416.32905 > 0 > C1[C@]2([C@](/C(=C/C=C/3\C(CC[C@@H](C3)O)=C)/CC1)(CC[C@@]2([C@](C)(CC(CC(C)C)O)O)[H])[H])C > InChI=1S/C27H44O3/c1-18(2)15-23(29)17-27(5,30)25-13-12-24-20(7-6-14-26(24,25)4)9-10-21-16-22(28)11-8-19(21)3/h9-10,18,22-25,28-30H,3,6-8,11-17H2,1-2,4-5H3/b20-9+,21-10-/t22-,23?,24-,25-,26-,27-/m0/s1 > PFGAVEWICNHWDW-OZCLJXQISA-N > 20673696 > 25727742 $$$$