Mrv1533004251502522D 25 27 0 0 0 0 999 V2000 4.5200 2.3295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1953 1.5711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6897 0.9107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5089 1.0086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3650 0.1523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5458 0.0543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8594 -0.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6786 -0.4102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2505 -1.1088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0598 -1.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8182 -1.5934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1578 -2.0879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4090 -2.4342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0179 -3.2479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1988 -3.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8740 -4.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0549 -4.2022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5604 -3.5418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8852 -2.7834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3908 -2.1229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7303 -2.6174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8963 -1.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7155 -1.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5347 -1.2666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3685 -4.7647 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 2 0 0 0 0 3 5 1 0 0 0 0 5 6 2 0 0 0 0 5 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 10 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 16 17 2 0 0 0 0 17 18 1 4 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 20 23 1 0 0 0 0 23 24 1 0 0 0 0 7 24 1 0 0 0 0 16 25 1 0 0 0 0 M END > NP0276832 > NP-MRD > COC(=O)C(=C)C1CCC2OC2CCCC(C)=CCCC2(C)OC2C1 > InChI=1S/C21H32O4/c1-14-7-5-9-17-18(24-17)11-10-16(15(2)20(22)23-4)13-19-21(3,25-19)12-6-8-14/h8,16-19H,2,5-7,9-13H2,1,3-4H3 > OOGAYASMOXZBPC-UHFFFAOYSA-N > C21H32O4 > 348.483 > 348.23005951 > 3 > 57 > 40.193644698717705 > 1 > 0 > 0 > 1 > methyl 2-{12,16-dimethyl-7,17-dioxatricyclo[14.1.0.0⁶,⁸]heptadec-12-en-3-yl}prop-2-enoate > 4.08 > 4.472590170000001 > -5.19 > 0 > 3 > 0 > -3.9119041357868407 > 51.36 > 98.05559999999998 > 3 > 1 > 2.23e-03 g/l > methyl 2-{12,16-dimethyl-7,17-dioxatricyclo[14.1.0.0⁶,⁸]heptadec-12-en-3-yl}prop-2-enoate > 0 > NP0276832 > methyl 2-{12,16-dimethyl-7,17-dioxatricyclo[14.1.0.0⁶,⁸]heptadec-12-en-3-yl}prop-2-enoate $$$$