44263352 CDK 1106202311 31 33 0 0 0 0 0 0 0 0999 V2000 6.4994 4.5423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -4.1363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0790 0.8138 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8597 1.0653 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0790 -0.0112 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3412 0.4013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8597 -0.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 1.2263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1159 1.8494 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3645 -0.4237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0790 1.6388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 0.8138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -0.0112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9232 2.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5650 2.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 -1.2487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1795 2.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9868 2.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0790 -1.6613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2432 3.7581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0790 -2.4863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 -2.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0273 3.5018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4590 4.0144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7935 -2.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 -3.7238 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7935 -3.7238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0790 -4.1363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5080 -2.4863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5525 1.1741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1532 -0.7085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 26 2 1 1 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 8 1 0 0 0 0 3 11 1 1 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 4 30 1 6 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 5 31 1 6 0 0 0 6 7 1 0 0 0 0 8 12 1 0 0 0 0 9 14 1 0 0 0 0 9 15 1 6 0 0 0 10 13 1 0 0 0 0 10 16 2 0 0 0 0 12 13 1 0 0 0 0 14 17 1 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 18 20 1 0 0 0 0 19 21 2 0 0 0 0 20 23 1 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 21 25 1 0 0 0 0 22 26 1 0 0 0 0 25 27 1 0 0 0 0 25 29 2 0 0 0 0 26 28 1 0 0 0 0 27 28 1 0 0 0 0 M END > CHEBI:166757 > 3-epi-25-Hydroxyvitamin D3 > 2 > (1R,3E)-3-[(2Z)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol > C27H44O2 > 400.647 > 400.33413 > 0 > OC(CCC[C@H]([C@@]1([C@@]2([C@@](CC1)(/C(/CCC2)=C\C=C\3/C[C@H](O)CCC3=C)[H])C)[H])C)(C)C > InChI=1S/C27H44O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3/b21-11-,22-12+/t20-,23-,24-,25+,27-/m1/s1 > JWUBBDSIWDLEOM-BQDJEZORSA-N > LMST03030005 $$$$