Mrv1652306222023592D 35 38 0 0 1 0 999 V2000 6.0409 -0.6271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3264 -1.8646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6119 0.1979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4685 -1.8646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8685 -2.0903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6135 -1.5147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8974 -1.0396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1830 -0.6271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7177 -0.0795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9107 0.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6678 0.1934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8608 0.3649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4825 -2.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0616 -1.9188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6755 -2.2618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7454 -1.7472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7796 -1.0356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3264 -1.0396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6119 -0.6271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4685 -1.0396 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9726 -0.8641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0345 -1.8203 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3586 -0.5211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7540 -0.6271 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4483 -0.3495 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6136 -1.3057 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4206 -1.4772 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0004 -0.9626 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.8415 -1.9918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1830 -1.4521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5865 -1.2072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1037 0.2636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4459 -0.1777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1934 -1.1341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1656 -0.6926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8 7 1 0 0 0 0 10 9 1 0 0 0 0 12 11 1 0 0 0 0 15 13 1 0 0 0 0 16 14 1 0 0 0 0 18 1 1 0 0 0 0 18 2 1 0 0 0 0 19 3 2 0 0 0 0 19 7 1 0 0 0 0 19 18 1 0 0 0 0 20 4 1 6 0 0 0 20 8 1 0 0 0 0 21 9 2 0 0 0 0 21 17 1 0 0 0 0 22 13 1 0 0 0 0 22 17 1 0 0 0 0 23 10 1 0 0 0 0 24 11 1 0 0 0 0 24 20 1 6 0 0 0 25 12 1 0 0 0 0 25 23 1 0 0 0 0 26 14 1 0 0 0 0 26 23 1 0 0 0 0 27 5 1 6 0 0 0 27 15 1 0 0 0 0 27 21 1 0 0 0 0 27 26 1 0 0 0 0 28 6 1 6 0 0 0 28 16 1 0 0 0 0 28 24 1 0 0 0 0 28 25 1 0 0 0 0 22 29 1 6 0 0 0 20 30 1 1 0 0 0 22 31 1 1 0 0 0 32 23 1 0 0 0 0 24 33 1 1 0 0 0 25 34 1 1 0 0 0 26 35 1 1 0 0 0 M END > CDB005337 > CDB > [H][C@](C)(CCC(=C)C(C)C)[C@@]1([H])CC[C@@]2([H])C3([H])CC=C4C[C@@]([H])(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C > InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18,20,22-26,29H,3,7-8,10-17H2,1-2,4-6H3/t20-,22-,23?,24+,25-,26-,27-,28+/m0/s1 > INDVLXYUCBVVKW-CPEKGPMFSA-N > C28H46O > 398.6642 > 398.354866094 > 1 > 75 > 51.01950743583209 > 1 > 1 > 0 > 0 > (1S,2R,5S,11S,14R,15R)-2,15-dimethyl-14-[(2S)-6-methyl-5-methylideneheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-ol > 6.61 > 7.052262316 > -6.32 > 0 > 4 > 0 > 18.20428950550382 > -1.3972437702926293 > 20.23 > 124.94259999999993 > 5 > 0 > 1.90e-04 g/l > (1S,2R,5S,11S,14R,15R)-2,15-dimethyl-14-[(2S)-6-methyl-5-methylideneheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-ol > 1 > CDB005337 > 24-Methylenecholesterol $$$$