Ketcher 07161515092D 1 1.00000 0.00000 0 33 35 0 1 0 999 V2000 -1.3216 1.5491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3216 -0.4533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4977 -0.2620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0861 0.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1887 1.0485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3216 -1.4545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1887 0.0473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1887 -1.9550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1887 -2.9562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3216 -3.4568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0556 -3.4568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3216 -4.4580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4545 -2.9562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0556 -4.4580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1887 -4.9586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9227 -4.9586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3694 2.8598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4977 2.3592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3648 2.8598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2317 2.3592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8330 2.8598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9659 2.3592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9659 1.3580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0988 2.8598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0988 3.8609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4977 1.3580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3648 1.8586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4545 0.0473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4545 -0.9539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4545 1.0485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4545 2.0497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8240 1.9300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4545 -4.9586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28 30 1 0 0 0 30 26 1 0 0 0 30 1 1 0 0 0 28 2 1 0 0 0 28 3 1 0 0 0 26 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 9 10 1 0 0 0 9 11 1 0 0 0 10 12 1 0 0 0 10 13 2 0 0 0 11 14 1 0 0 0 12 15 1 0 0 0 14 16 1 6 0 0 3 4 1 0 0 0 5 7 1 0 0 0 14 15 1 0 0 0 26 18 1 0 0 0 18 17 1 6 0 0 18 19 1 0 0 0 19 20 2 0 0 0 20 24 1 0 0 0 24 22 1 0 0 0 22 21 1 0 0 0 22 23 1 0 0 0 24 25 1 6 0 0 26 27 1 6 0 0 28 29 1 6 0 0 30 31 1 1 0 0 22 32 1 0 0 0 12 33 1 1 0 0 M END > CHEBI:86320 > 1alpha,25-dihydroxyvitamin D2 > A hydroxycalciol that is vitamin D2 bearing additional hydroxy substituents at positions 1α and 25. > 3 > Ercalcitriol; 1alpha,25-Dihydroxyvitamin D2; 1alpha,25-dihydroxyvitamin D2; 1alpha,25-Dihydroxyergocalciferol; 1alpha,25-dihydroxyergocalciferol; 1alpha,25-dihydroxycalciferol; 1,25-Dihydroxyvitamin D2; 1,25-Dihydroxyergocalciferol; 1,25-Dihydroxycalciferol > C28H44O3 > 428.64720 > 428.32905 > 0 > C[C@H](\C=C\[C@H](C)C(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C > InChI=1S/C28H44O3/c1-18(9-10-19(2)27(4,5)31)24-13-14-25-21(8-7-15-28(24,25)6)11-12-22-16-23(29)17-26(30)20(22)3/h9-12,18-19,23-26,29-31H,3,7-8,13-17H2,1-2,4-6H3/b10-9+,21-11+,22-12-/t18-,19+,23-,24-,25+,26+,28-/m1/s1 > ZGLHBRQAEXKACO-XJRQOBMKSA-N > 60133-18-8 > 5635017 > 60133-18-8 > LMST03010040 > 15465040; 2253400 $$$$