9547623 CDK 0409211651 38 40 0 0 0 0 0 0 0 0999 V2000 6.9031 0.4493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -5.0924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5079 -5.0924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7992 4.7105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5079 -0.1424 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2885 0.1091 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5079 -0.9674 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7700 -0.5549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2885 -1.2188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7935 0.2701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5449 0.8932 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7935 -1.3799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5079 0.6826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 -0.1424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 -0.9674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3521 1.0634 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9938 1.5073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7935 -2.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 -2.6174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6085 1.8475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 -3.4424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8647 2.6317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 -3.8549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7935 -3.8549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 -4.6799 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7935 -4.6799 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1210 3.4159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 -5.0924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9283 3.5861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5079 -3.4424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1846 4.3702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9919 4.5403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8217 5.3476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1620 3.7331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0375 5.6039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9462 3.4767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9813 0.2178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5821 -1.6647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16 1 1 1 0 0 0 25 2 1 6 0 0 0 26 3 1 1 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 5 13 1 1 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 6 37 1 6 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 7 38 1 6 0 0 0 8 9 1 0 0 0 0 10 14 1 0 0 0 0 11 16 1 0 0 0 0 11 17 1 6 0 0 0 12 15 1 0 0 0 0 12 18 2 0 0 0 0 14 15 1 0 0 0 0 16 20 1 0 0 0 0 18 19 1 0 0 0 0 19 21 2 0 0 0 0 20 22 3 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 22 27 1 0 0 0 0 23 25 1 0 0 0 0 24 26 1 0 0 0 0 24 30 2 0 0 0 0 25 28 1 0 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 33 35 1 0 0 0 0 34 36 1 0 0 0 0 M END > CHEBI:168931 > (22S)-1alpha,22,25-trihydroxy-26,27-dimethyl-23,23,24,24-tetradehydro-24a,24b,24c-trihomovitamin D3 / (22S)-1alpha,22,25-trihydroxy-26,27-dimethyl-23,23,24,24-tetradehydro-24a,24b,24c-trihomocholecalciferol > 2 > (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2S,3S)-9-ethyl-3,9-dihydroxyundec-4-yn-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol > C32H50O4 > 498.748 > 498.37091 > 0 > O[C@@H]([C@H]([C@@]1([C@@]2([C@@](CC1)(/C(/CCC2)=C/C=C\3/C[C@@H](O)C[C@H](O)C3=C)[H])C)[H])C)C#CCCCC(O)(CC)CC > InChI=1S/C32H50O4/c1-6-32(36,7-2)19-10-8-9-13-29(34)23(4)27-16-17-28-24(12-11-18-31(27,28)5)14-15-25-20-26(33)21-30(35)22(25)3/h14-15,23,26-30,33-36H,3,6-8,10-12,16-21H2,1-2,4-5H3/b24-14+,25-15-/t23-,26+,27+,28-,29+,30-,31+/m0/s1 > XGHJDXIBHSICDD-BYMDFYQNSA-N > LMST03020519 $$$$