Mrv1652309022205202D 23 25 0 0 1 0 999 V2000 0.7027 -4.6391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5958 -3.8211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1662 -3.5047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2507 -3.3194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1438 -2.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7988 -1.9997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6918 -1.1817 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9446 -0.8321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8737 -0.0101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5501 0.4622 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6517 1.2809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4617 1.4373 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8113 2.1846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8608 0.7152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6797 0.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3711 0.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6113 -0.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2880 -1.1837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8906 -1.7471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5524 -1.5573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7488 -1.3707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2531 -0.7112 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2974 0.1126 0.0000 C 0 0 2 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 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 7 6 1 1 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 6 0 0 0 11 12 1 0 0 0 0 12 13 1 1 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 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 22 21 1 1 0 0 0 7 22 1 0 0 0 0 22 23 1 0 0 0 0 23 14 1 6 0 0 0 10 23 1 0 0 0 0 M END > NP0147698 > NP-MRD > CC(C)=CCC[C@H]1CO[C@@H]2O[C@@H](O)\C3=C\C\C=C(C)/CC[C@@H]1[C@H]23 > InChI=1S/C20H30O3/c1-13(2)6-4-8-15-12-22-20-18-16(15)11-10-14(3)7-5-9-17(18)19(21)23-20/h6-7,9,15-16,18-21H,4-5,8,10-12H2,1-3H3/b14-7-,17-9+/t15-,16-,18-,19+,20+/m0/s1 > VXBAUFFBFVAKFK-UDYFHPCNSA-N > C20H30O3 > 318.457 > 318.219494826 > 3 > 53 > 37.39613581492111 > 1 > 1 > 0 > 1 > (2R,4R,7R,8S,11E,15S)-11-methyl-7-(4-methylpent-3-en-1-yl)-3,5-dioxatricyclo[6.6.1.0^{4,15}]pentadeca-1(14),11-dien-2-ol > 3.41 > 4.211725042333334 > -4.04 > 0 > 3 > 0 > 11.77391763786704 > -4.118484454412078 > 38.69 > 94.8285 > 3 > 1 > 2.87e-02 g/l > (2R,4R,7R,8S,11E,15S)-11-methyl-7-(4-methylpent-3-en-1-yl)-3,5-dioxatricyclo[6.6.1.0^{4,15}]pentadeca-1(14),11-dien-2-ol > 1 > NP0147698 > (1e,2r,4r,7r,8s,11e,15s)-11-methyl-7-(4-methylpent-3-en-1-yl)-3,5-dioxatricyclo[6.6.1.0⁴,¹⁵]pentadeca-1(14),11-dien-2-ol $$$$