Mrv0541 02241204552D 61 68 0 0 0 0 999 V2000 -3.6264 -3.5645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0946 -4.1952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2825 -4.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0022 -3.2741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1901 -3.1289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9098 -2.3529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0976 -2.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1827 -1.4318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9948 -1.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5266 -1.9173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8069 -1.1414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2751 -0.5107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3387 -1.7721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6190 -0.9961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4311 -0.8509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9629 -1.4816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3228 -0.7393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7875 -1.5084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0168 -2.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3340 -2.7639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6826 -2.2576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4850 -3.0585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8705 -2.4028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5902 -3.1787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7781 -3.3239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2463 -2.6932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9660 -3.4691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4342 -2.8384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2939 -0.8571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0646 -0.0646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7474 0.3984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7742 1.2229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3987 -0.1080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1184 -0.8839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6582 -3.7596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9385 -4.5355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4067 -5.1662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7507 -4.6807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0310 -5.4566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8431 -5.6018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3749 -4.9711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1870 -5.1163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7188 -4.4856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4385 -3.7097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9704 -3.0790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7825 -3.2242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3143 -2.5935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1264 -2.7387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6582 -2.1080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0340 -1.8176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5658 -1.1869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2219 -1.6724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9416 -0.8965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6901 -2.3031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8779 -2.1579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4673 -5.8923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2794 -6.0375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9355 -6.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2158 -7.2989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1234 -6.3778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5916 -7.0085 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 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 2 0 0 0 0 10 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 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 16 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 13 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 10 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 7 28 1 0 0 0 0 18 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 29 34 1 0 0 0 0 5 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 3 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 47 50 1 0 0 0 0 50 51 1 0 0 0 0 50 52 1 0 0 0 0 52 53 1 0 0 0 0 52 54 1 0 0 0 0 45 54 1 0 0 0 0 54 55 1 0 0 0 0 42 56 1 0 0 0 0 56 57 1 0 0 0 0 56 58 1 0 0 0 0 58 59 1 0 0 0 0 58 60 1 0 0 0 0 40 60 1 0 0 0 0 60 61 1 0 0 0 0 M END > NP0145765 > NP-MRD > COC1CC(OC2CCC3(C=O)C4CCC5(C)C(CCC5(O)C4CCC3(O)C2)C2=CC(=O)OC2)OC(C)C1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O > InChI=1S/C42H64O19/c1-19-36(61-38-35(51)33(49)31(47)27(60-38)17-56-37-34(50)32(48)30(46)26(15-43)59-37)25(54-3)13-29(57-19)58-21-4-9-40(18-44)23-5-8-39(2)22(20-12-28(45)55-16-20)7-11-42(39,53)24(23)6-10-41(40,52)14-21/h12,18-19,21-27,29-38,43,46-53H,4-11,13-17H2,1-3H3 > GILGYKHFZXQALF-UHFFFAOYSA-N > C42H64O19 > 872.9462 > 872.404179866 > 18 > 91.55008021569031 > 0 > 9 > 0 > 0 > 7,11-dihydroxy-5-[(4-methoxy-6-methyl-5-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-15-methyl-14-(5-oxo-2,5-dihydrofuran-3-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecane-2-carbaldehyde > -1.38 > -1.853495241000001 > -3.03 > 1 > 8 > 0 > 11.908555983152635 > 7.1826279615402076 > -3.1924097069799595 > 290.04999999999995 > 204.85360000000003 > 11 > 0 > 8.16e-01 g/l > 7,11-dihydroxy-5-[(4-methoxy-6-methyl-5-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-15-methyl-14-(5-oxo-2H-furan-3-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecane-2-carbaldehyde > 0 > NP0145765 > 3a,5a-dihydroxy-7-[(4-methoxy-6-methyl-5-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-11a-methyl-1-(5-oxo-2h-furan-3-yl)-dodecahydro-1h-cyclopenta[a]phenanthrene-9a-carbaldehyde $$$$