Mrv1533004191521482D 36 39 0 0 0 0 999 V2000 -2.1158 -1.7078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2287 -0.8906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3415 -0.0734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0459 -1.0035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5523 -0.3521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4115 -0.7777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9051 -1.4291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0879 -1.3162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4185 -1.9676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2328 -2.4739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0698 -1.4612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9249 -2.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6955 -3.4114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3784 -3.8744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0297 -3.3680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2274 -4.1690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7494 -2.5921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2812 -1.9614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0009 -1.1854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0934 -2.1066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3737 -2.8825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1858 -3.0277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9055 -2.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7176 -2.3970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4373 -1.6211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5297 -2.5422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8100 -3.3182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6221 -3.4634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2782 -3.9489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9917 -4.3631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9942 -4.7234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4661 -3.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9343 -4.4344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1221 -4.2891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8418 -3.5132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5309 -4.2774 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 2 4 1 0 0 0 0 4 5 1 0 0 0 0 6 2 1 4 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 12 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 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 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 32 1 0 0 0 0 22 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 15 35 1 0 0 0 0 21 35 1 0 0 0 0 35 36 1 0 0 0 0 M END > NP0272977 > NP-MRD > CC(O)(CC=CC(C)(C)OO)C1CCC2(C)C1C(O)CC1C2(C)CCC2C(C)(C)C(O)CC(O)C12C > InChI=1S/C30H52O6/c1-25(2,36-35)12-9-13-29(7,34)18-10-14-28(6)24(18)19(31)16-21-27(28,5)15-11-20-26(3,4)22(32)17-23(33)30(20,21)8/h9,12,18-24,31-35H,10-11,13-17H2,1-8H3 > PXTMVQBFYBHORD-UHFFFAOYSA-N > C30H52O6 > 508.74 > 508.376389394 > 6 > 88 > 59.05025164176809 > 1 > 5 > 0 > 0 > 14-(6-hydroperoxy-2-hydroxy-6-methylhept-4-en-2-yl)-2,6,6,10,11-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecane-3,5,16-triol > 4.08 > 3.406118708999999 > -4.60 > 0 > 4 > 0 > 14.097252698578263 > 11.698343873749957 > -2.838963599403372 > 110.38000000000001 > 142.0067 > 5 > 0 > 1.29e-02 g/l > 14-(6-hydroperoxy-2-hydroxy-6-methylhept-4-en-2-yl)-2,6,6,10,11-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecane-3,5,16-triol > 0 > NP0272977 > 1-(6-hydroperoxy-2-hydroxy-6-methylhept-4-en-2-yl)-3a,3b,6,6,9a-pentamethyl-dodecahydro-1h-cyclopenta[a]phenanthrene-7,9,11-triol $$$$