24779631 CDK 1106202311 34 37 0 0 0 0 0 0 0 0999 V2000 8.3408 5.0562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 -3.6222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 -5.1617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9204 1.3278 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7010 1.5792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9204 0.5028 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1825 0.9153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7010 0.2514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2060 1.7404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9574 2.3634 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2060 0.0903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9204 2.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4914 1.3278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4914 0.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7646 2.5335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4063 2.9774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2060 -0.7347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0210 3.3177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8282 3.4879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4914 -1.1472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0845 4.2720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4914 -1.9722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 -2.3847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2060 -2.3847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8687 4.0157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3003 4.5283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 -3.2097 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2060 -3.2097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4914 -3.6222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9204 -1.9722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 -4.4472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -5.1617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3938 1.6880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9946 -0.1945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 27 2 1 6 0 0 0 2 31 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 4 12 1 1 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 5 33 1 6 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 6 34 1 6 0 0 0 7 8 1 0 0 0 0 9 13 1 0 0 0 0 10 15 1 0 0 0 0 10 16 1 6 0 0 0 11 14 1 0 0 0 0 11 17 2 0 0 0 0 13 14 1 0 0 0 0 15 18 1 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 19 21 1 0 0 0 0 20 22 2 0 0 0 0 21 25 1 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 27 1 0 0 0 0 24 28 1 0 0 0 0 24 30 2 0 0 0 0 27 29 1 0 0 0 0 28 29 1 0 0 0 0 31 32 1 0 0 0 0 M END > CHEBI:166752 > 25-Hydroxy[26,27-methyl]vitamin D3 3beta-(1,2-epoxypropyl)ether > 2 > (6R)-6-[(1R,3aS,4E,7aR)-7a-methyl-4-[(2Z)-2-[(5S)-2-methylidene-5-(oxiran-2-yloxy)cyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-ol > C29H46O3 > 442.684 > 442.34470 > 0 > OC(CCC[C@H]([C@@]1([C@@]2([C@@](CC1)(/C(/CCC2)=C/C=C\3/C[C@@H](OC4OC4)CCC3=C)[H])C)[H])C)(C)C > InChI=1S/C29H46O3/c1-20-10-13-24(32-27-19-31-27)18-23(20)12-11-22-9-7-17-29(5)25(14-15-26(22)29)21(2)8-6-16-28(3,4)30/h11-12,21,24-27,30H,1,6-10,13-19H2,2-5H3/b22-11+,23-12-/t21-,24+,25-,26+,27?,29-/m1/s1 > ZVTCDSVEACOJSM-DVVMEBMCSA-N > LMST03020624 $$$$