Mrv1652309082205512D 29 32 0 0 1 0 999 V2000 2.2595 -1.4579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2666 -1.1839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1870 -0.3695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4288 -0.5142 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4110 -0.6926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5428 0.4002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9411 1.1862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3199 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6960 1.6002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5417 1.7164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3678 1.5176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0623 1.0268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4803 0.2840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3267 -0.5604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4724 -1.3954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8458 -1.9478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0498 -1.6844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2552 -1.9914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7302 -2.6421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0042 -3.4656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9432 -2.4034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8765 -1.5443 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0655 -1.2995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4650 -1.8498 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5788 -2.8627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7829 -1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9786 -0.5308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9147 -0.8566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5322 -0.3166 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 3 4 1 0 0 0 0 4 5 1 6 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 7 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 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 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 19 20 2 0 0 0 0 19 21 1 0 0 0 0 22 21 1 1 0 0 0 4 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 2 24 1 0 0 0 0 24 25 1 1 0 0 0 22 26 1 0 0 0 0 18 26 1 0 0 0 0 26 27 2 0 0 0 0 17 28 1 0 0 0 0 28 29 1 0 0 0 0 14 29 1 0 0 0 0 M END > NP0261413 > NP-MRD > C[C@H]1C[C@@]23OC(=O)\C(C2=O)=C2\OC\C(\C=C2)=C/CC\C=C/C(/C)=C\[C@@]3(C)C=C1C > InChI=1S/C25H28O4/c1-16-8-6-5-7-9-19-10-11-20(28-15-19)21-22(26)25(29-23(21)27)14-18(3)17(2)13-24(25,4)12-16/h6,8-13,18H,5,7,14-15H2,1-4H3/b8-6-,16-12-,19-9-,21-20+/t18-,24-,25+/m0/s1 > HFHJEHWFJWGNEW-CIXMAYGLSA-N > C25H28O4 > 392.495 > 392.198759382 > 3 > 57 > 42.64359892353929 > 1 > 0 > 0 > 1 > (5S,7S,10R,11E,13E)-7,8,10,12-tetramethyl-4,20-dioxatetracyclo[16.2.2.1^{2,5}.0^{5,10}]tricosa-1,8,11,13,17,21-hexaene-3,23-dione > 4.667503114999999 > 0 > 4 > 0 > -4.892385602877096 > 52.60000000000001 > 118.86429999999996 > 0 > 1 > (5S,7S,10R,11E,13E)-7,8,10,12-tetramethyl-4,20-dioxatetracyclo[16.2.2.1^{2,5}.0^{5,10}]tricosa-1,8,11,13,17,21-hexaene-3,23-dione > 0 > NP0261413 > (1e,5s,7s,10r,11e,13e,17z)-7,8,10,12-tetramethyl-4,20-dioxatetracyclo[16.2.2.1²,⁵.0⁵,¹⁰]tricosa-1,8,11,13,17,21-hexaene-3,23-dione $$$$