Mrv1652304282205432D 27 30 0 0 1 0 999 V2000 4.0786 0.6696 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8737 0.8899 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4620 0.3115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6687 1.1102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2570 0.5318 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8454 -0.0465 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6386 -0.8452 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8436 -1.0655 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2553 -0.4871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4602 -0.7075 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8719 -0.1291 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0485 -0.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6050 -0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7462 0.5883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9476 0.7951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3829 1.1130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2535 -1.5061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4585 -1.7265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8702 -1.1481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2518 -2.5251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4567 -2.7455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8684 -2.1671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8401 -3.1035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4319 -1.6439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2652 -1.6538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0521 0.7522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0804 1.6886 0.0000 O 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 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 1 11 1 0 0 0 0 11 12 1 1 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 1 16 1 6 0 0 0 10 17 1 6 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 20 23 1 0 0 0 0 8 24 1 0 0 0 0 7 24 1 1 0 0 0 8 25 1 1 0 0 0 6 26 1 6 0 0 0 5 26 1 6 0 0 0 2 27 1 1 0 0 0 M END > NP0058359 > NP-MRD > C\C=C(\C)C(=O)O[C@H]1C[C@@]2(C)O[C@@H]2[C@H]2O[C@H]2C(=C)[C@H](O)[C@H]2OC(=O)C(=C)[C@H]12 > InChI=1S/C20H24O7/c1-6-8(2)18(22)24-11-7-20(5)17(27-20)16-14(25-16)10(4)13(21)15-12(11)9(3)19(23)26-15/h6,11-17,21H,3-4,7H2,1-2,5H3/b8-6-/t11-,12+,13-,14-,15-,16-,17+,20+/m0/s1 > RKAXEWSQYMGBAP-DCYZMOCKSA-N > C20H24O7 > 376.405 > 376.152203113 > 5 > 51 > 37.765214602188365 > 1 > 1 > 0 > 1 > (1R,2S,4R,6R,7S,9S,11S,12S)-11-hydroxy-4-methyl-10,15-dimethylidene-14-oxo-5,8,13-trioxatetracyclo[10.3.0.0^{4,6}.0^{7,9}]pentadecan-2-yl (2Z)-2-methylbut-2-enoate > 1.55 > 1.8612004486666667 > -2.19 > 0 > 4 > 0 > 13.50603358493025 > -3.452260909951508 > 97.89 > 93.41170000000001 > 3 > 1 > 2.42e+00 g/l > (1R,2S,4R,6R,7S,9S,11S,12S)-11-hydroxy-4-methyl-10,15-dimethylidene-14-oxo-5,8,13-trioxatetracyclo[10.3.0.0^{4,6}.0^{7,9}]pentadecan-2-yl (2Z)-2-methylbut-2-enoate > 0 > NP0058359 > Cordifene $$$$