Mrv1652309092202512D 27 30 0 0 0 0 999 V2000 0.3402 -0.1179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6464 -0.8839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1361 -1.5321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4630 -1.0018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7692 -1.7679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5857 -1.8857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8919 -2.6518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4022 -2.0036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7084 -2.7696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2188 -2.1214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0353 -2.2393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3415 -3.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0428 -2.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8913 -3.6205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6989 -3.4520 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.6334 -4.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1832 -5.0193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8312 -3.6536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0146 -3.5357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5043 -4.1839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8105 -4.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6878 -4.0661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3816 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5650 -3.1821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4472 -3.9987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7485 -3.0643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2588 -2.4161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 12 18 1 0 0 0 0 18 19 1 0 0 0 0 9 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 7 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 5 27 1 0 0 0 0 24 27 1 0 0 0 0 M END > NP0276628 > NP-MRD > CC(=O)OC1CC2(C)C(CC(O)C3CC(C)(CC=C23)C(Br)CO)C2(C)CC12 > InChI=1S/C22H33BrO4/c1-12(25)27-17-10-22(4)14-5-6-20(2,19(23)11-24)8-13(14)16(26)7-18(22)21(3)9-15(17)21/h5,13,15-19,24,26H,6-11H2,1-4H3 > UVYAPBDOYMZESV-UHFFFAOYSA-N > C22H33BrO4 > 441.406 > 440.156223 > 3 > 60 > 44.74386256426781 > 1 > 2 > 0 > 1 > 5-(1-bromo-2-hydroxyethyl)-8-hydroxy-1,5,11-trimethyltetracyclo[8.5.0.0^{2,7}.0^{11,13}]pentadec-2-en-14-yl acetate > 2.5662126663333344 > 0 > 4 > 0 > 19.577698461361084 > 14.50579317910642 > -0.796514423220812 > 66.76 > 108.2261 > 4 > 1 > 5-(1-bromo-2-hydroxyethyl)-8-hydroxy-1,5,11-trimethyltetracyclo[8.5.0.0^{2,7}.0^{11,13}]pentadec-2-en-14-yl acetate > 0 > NP0276628 > 5-(1-bromo-2-hydroxyethyl)-3-hydroxy-1a,5,7b-trimethyl-1h,1bh,2h,3h,3ah,4h,6h,8h,9h,9ah-cyclopropa[a]phenanthren-9-yl acetate $$$$