Mrv1652309022218562D 27 32 0 0 1 0 999 V2000 -0.1006 0.2656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0986 -0.5594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8121 -0.9737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6168 -0.9702 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0880 -1.6035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8971 -0.1943 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3653 0.4364 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.7092 -0.0491 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5214 0.0961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2411 -0.6798 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0532 -0.5346 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9936 0.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 0.2414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1456 0.3866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6774 -0.2441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3971 -1.0201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0484 -1.5264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7313 -1.0634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5020 -0.2709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0083 0.3804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5850 -1.1653 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3047 -1.9412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4926 -2.0864 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6805 -2.2316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9608 -1.4557 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1486 -1.6009 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8683 -2.3768 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 4 2 1 6 0 0 0 4 5 1 1 0 0 0 4 6 1 0 0 0 0 6 7 1 6 0 0 0 6 8 1 0 0 0 0 8 9 1 6 0 0 0 10 9 1 6 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 6 0 0 0 11 13 1 0 0 0 0 13 14 1 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 1 0 0 0 0 18 19 1 0 0 0 0 15 19 1 0 0 0 0 19 20 2 0 0 0 0 21 16 1 6 0 0 0 11 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 6 0 0 0 25 24 1 6 0 0 0 23 25 1 0 0 0 0 10 25 1 0 0 0 0 25 26 1 0 0 0 0 4 26 1 0 0 0 0 26 27 1 6 0 0 0 M END > NP0159219 > NP-MRD > CC(C)[C@]1(O)[C@H](Cl)[C@@H]2O[C@]22[C@]3(O[C@H]3C[C@H]3C4=C(CC[C@]23C)C(=O)OC4)[C@@H]1O > InChI=1S/C20H25ClO6/c1-8(2)18(24)13(21)14-20(27-14)17(3)5-4-9-10(7-25-15(9)22)11(17)6-12-19(20,26-12)16(18)23/h8,11-14,16,23-24H,4-7H2,1-3H3/t11-,12-,13+,14-,16+,17-,18-,19+,20+/m0/s1 > OIMACDABKWJVSQ-LZVGCMTRSA-N > C20H25ClO6 > 396.86 > 396.1339662 > 5 > 52 > 39.902566366394566 > 1 > 2 > 0 > 1 > (1S,2S,4R,5R,6R,7R,8S,10S,12S)-5-chloro-6,7-dihydroxy-1-methyl-6-(propan-2-yl)-3,9,15-trioxahexacyclo[10.7.0.0^{2,4}.0^{2,8}.0^{8,10}.0^{13,17}]nonadec-13(17)-en-16-one > 1.47 > 1.520560842333333 > -2.77 > 0 > 6 > 0 > 13.141751910710763 > 12.29786497258565 > -3.8065528451277286 > 91.82 > 93.82169999999998 > 1 > 1 > 6.71e-01 g/l > (1S,2S,4R,5R,6R,7R,8S,10S,12S)-5-chloro-6,7-dihydroxy-6-isopropyl-1-methyl-3,9,15-trioxahexacyclo[10.7.0.0^{2,4}.0^{2,8}.0^{8,10}.0^{13,17}]nonadec-13(17)-en-16-one > 0 > NP0159219 > tripchlorolide $$$$