Mrv1533004231519392D 34 38 0 0 0 0 999 V2000 -0.7893 0.5015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0618 0.1125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0350 -0.7121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6478 -1.1751 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 -0.4061 -1.9944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6864 -1.2184 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 1.7494 -2.5921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3895 -1.8497 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 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 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 2.5903 -4.9199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8706 -5.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6827 -5.8410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3388 -6.3265 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 2.3100 -4.1439 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 3 7 1 0 0 0 0 5 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 8 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 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 17 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 28 33 1 0 0 0 0 11 33 1 0 0 0 0 16 33 1 0 0 0 0 33 34 1 0 0 0 0 M END > NP0084182 > NP-MRD > COC1CC(CO1)C1CC=C2C1(C)CCC1C3(C)C=CC(=O)C(C)(C)C3CC(OC(C)=O)C21C > InChI=1S/C29H42O5/c1-17(30)34-24-15-22-26(2,3)23(31)11-13-28(22,5)21-10-12-27(4)19(8-9-20(27)29(21,24)6)18-14-25(32-7)33-16-18/h9,11,13,18-19,21-22,24-25H,8,10,12,14-16H2,1-7H3 > KLMZLZDZRFJUNS-UHFFFAOYSA-N > C29H42O5 > 470.65 > 470.303224452 > 4 > 76 > 54.285951394047444 > 1 > 0 > 0 > 0 > 14-(5-methoxyoxolan-3-yl)-2,6,6,10,15-pentamethyl-5-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-3,11-dien-9-yl acetate > 5.25 > 4.723351439333334 > -5.85 > 0 > 5 > 0 > -3.9681676225955234 > 61.830000000000005 > 132.7095 > 4 > 1 > 6.70e-04 g/l > 14-(5-methoxyoxolan-3-yl)-2,6,6,10,15-pentamethyl-5-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-3,11-dien-9-yl acetate > 0 > NP0084182 > limocin B $$$$