Mrv1533004241512342D 32 36 0 0 0 0 999 V2000 1.9758 -3.4106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2561 -2.6347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7243 -2.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9253 -2.2095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2665 -1.7129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2439 -0.8883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8747 -0.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6837 -0.5180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0618 -1.2512 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8865 -1.2286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0683 -2.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1278 -3.3123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8390 -1.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5218 -1.2340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5486 -0.4095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1731 -1.7404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9853 -1.5952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2655 -0.8192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0777 -0.6740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6095 -1.3047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4216 -1.1595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9534 -1.7902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7655 -1.6450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6731 -2.5662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8610 -2.7114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3292 -2.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0489 -2.8566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5171 -2.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2368 -3.0018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4247 -3.1470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8928 -2.5163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5330 -3.2587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 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 8 9 1 0 0 0 0 3 9 1 0 0 0 0 9 10 1 0 0 0 0 2 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 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 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 20 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 17 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 11 31 1 0 0 0 0 16 31 1 0 0 0 0 31 32 1 0 0 0 0 M END > NP0283765 > NP-MRD > CC(C1CCCCCN1C)C1(O)CC(O)C2C3CC=C4CC(O)CCC4(C)C3CCC12C > InChI=1S/C28H47NO3/c1-18(23-8-6-5-7-15-29(23)4)28(32)17-24(31)25-21-10-9-19-16-20(30)11-13-26(19,2)22(21)12-14-27(25,28)3/h9,18,20-25,30-32H,5-8,10-17H2,1-4H3 > ADJSALUATZOABZ-UHFFFAOYSA-N > C28H47NO3 > 445.688 > 445.355594377 > 4 > 79 > 53.89575488023179 > 1 > 3 > 0 > 0 > 2,15-dimethyl-14-[1-(1-methylazepan-2-yl)ethyl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-ene-5,12,14-triol > 4.05 > 3.2530169476666675 > -3.80 > 0 > 5 > 1 > 14.999955191705098 > 13.987310739354932 > 10.210079602040947 > 63.93000000000001 > 130.63379999999998 > 2 > 1 > 7.08e-02 g/l > 2,15-dimethyl-14-[1-(1-methylazepan-2-yl)ethyl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-ene-5,12,14-triol > 0 > NP0283765 > 9a,11a-dimethyl-1-[1-(1-methylazepan-2-yl)ethyl]-2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-1,3,7-triol $$$$