Mrv1652309082221262D 26 28 0 0 1 0 999 V2000 5.8572 -0.2019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0866 0.0926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9563 0.9073 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5388 1.4915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1632 2.2260 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5367 2.9616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3605 3.0060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3486 2.0958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2207 1.2807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5988 0.7386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7740 0.7230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1321 1.2412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3517 1.5087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9735 2.0508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3316 2.5691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3724 2.7730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1422 3.0698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9226 2.8023 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4409 3.4442 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2559 3.3163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1441 4.2140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6624 4.8559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3656 5.6257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8838 6.2676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5871 7.0373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6989 6.1397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 2 1 1 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 6 0 0 0 6 7 1 0 0 0 0 5 8 1 0 0 0 0 8 9 1 1 0 0 0 3 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 13 14 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 17 18 1 0 0 0 0 8 18 1 0 0 0 0 18 19 1 6 0 0 0 19 20 1 6 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 M END > NP0272713 > NP-MRD > CO[C@@H]1O[C@@H](OC)\C2=C\CC3OC3(C)CC[C@H]([C@@H](C)CCC=C(C)C)[C@@H]12 > InChI=1S/C22H36O4/c1-14(2)8-7-9-15(3)16-12-13-22(4)18(26-22)11-10-17-19(16)21(24-6)25-20(17)23-5/h8,10,15-16,18-21H,7,9,11-13H2,1-6H3/b17-10+/t15-,16+,18?,19+,20+,21+,22?/m0/s1 > NNEPDNCQXXTAGG-IEEKLGNNSA-N > C22H36O4 > 364.526 > 364.261359639 > 4 > 62 > 42.70070420173316 > 1 > 0 > 0 > 1 > (9R,10R,11R,13R)-11,13-dimethoxy-6-methyl-9-[(2S)-6-methylhept-5-en-2-yl]-5,12-dioxatricyclo[8.3.0.0^{4,6}]tridec-1-ene > 4.794217855666665 > 1 > 3 > 0 > -3.731276657717395 > 40.22 > 104.7498 > 6 > 1 > (9R,10R,11R,13R)-11,13-dimethoxy-6-methyl-9-[(2S)-6-methylhept-5-en-2-yl]-5,12-dioxatricyclo[8.3.0.0^{4,6}]tridec-1-ene > 0 > NP0272713 > (1e,9r,10r,11r,13r)-11,13-dimethoxy-6-methyl-9-[(2s)-6-methylhept-5-en-2-yl]-5,12-dioxatricyclo[8.3.0.0⁴,⁶]tridec-1-ene $$$$