Mrv1533004201505152D 26 25 0 0 0 0 999 V2000 4.2355 3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9500 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9500 2.0329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6645 3.2704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3789 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0934 3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8079 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5224 3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2368 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9513 3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6658 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3802 3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0947 3.6829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8092 4.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5237 4.5079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2381 4.9204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9526 4.5079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6671 4.9204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6671 5.7454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3815 6.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3815 6.9829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0960 5.7454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8079 2.0329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5224 1.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2368 2.0329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5224 0.7954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 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 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 3 0 0 0 0 13 14 1 0 0 0 0 14 15 3 0 0 0 0 16 15 1 4 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 7 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 M END > NP0308817 > NP-MRD > CC(=O)OCCC(CCCCC#CC#CC=CCOC(C)=O)OC(C)=O > InChI=1S/C20H26O6/c1-17(21)24-15-12-10-8-6-4-5-7-9-11-13-20(26-19(3)23)14-16-25-18(2)22/h10,12,20H,7,9,11,13-16H2,1-3H3 > PXSUBLMVADHFOG-UHFFFAOYSA-N > C20H26O6 > 362.422 > 362.172938557 > 3 > 52 > 41.175913848953826 > 1 > 0 > 0 > 1 > 1,14-bis(acetyloxy)tetradec-12-en-8,10-diyn-3-yl acetate > 4.13 > 2.64159281 > -4.54 > 0 > 0 > 0 > -6.523263657447461 > 78.9 > 98.8394 > 16 > 1 > 1.03e-02 g/l > 1,14-bis(acetyloxy)tetradec-12-en-8,10-diyn-3-yl acetate > 0 > NP0308817 > 1,14-bis(acetyloxy)tetradec-12-en-8,10-diyn-3-yl acetate $$$$