Mrv1533004171515222D 54 60 0 0 0 0 999 V2000 7.7663 -2.1103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0466 -1.3344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5148 -0.7037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7951 0.0722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2632 0.7029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4511 0.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1708 -0.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3587 -0.3634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8269 0.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5466 -0.5086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1072 1.0432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9193 1.1884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5754 1.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7633 1.5287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4830 0.7528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 1.3835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0148 0.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7345 -0.6539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9224 -0.7991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3905 -0.1684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0307 -0.9107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5660 -0.1416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3367 0.6509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0195 1.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6708 0.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6113 1.4304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0596 -0.7929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3705 -1.5571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8642 -2.2084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0469 -2.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4594 -2.7469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2640 -1.3314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2424 -0.6800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8557 2.4498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3239 3.0805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5117 2.9353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6041 3.8565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6072 0.2174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8875 0.9934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1390 -0.4133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9511 -0.2681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8587 -1.1892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3905 -1.8199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1102 -2.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2981 -2.7410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0178 -3.5170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2057 -3.6622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6739 -3.0315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5496 -4.1477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2693 -4.9236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3617 -4.0025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8936 -4.6332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6420 -3.2265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4542 -3.0813 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 9 11 1 0 0 0 0 11 12 1 0 0 0 0 6 12 1 0 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 1 0 0 0 0 15 17 1 0 0 0 0 9 17 1 0 0 0 0 17 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 20 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 15 25 1 0 0 0 0 20 25 1 0 0 0 0 25 26 1 0 0 0 0 22 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 32 33 2 0 0 0 0 27 33 1 0 0 0 0 13 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 35 37 1 0 0 0 0 4 38 1 0 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 40 41 1 0 0 0 0 40 42 1 0 0 0 0 2 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 46 49 1 0 0 0 0 49 50 1 0 0 0 0 49 51 1 0 0 0 0 51 52 1 0 0 0 0 51 53 1 0 0 0 0 44 53 1 0 0 0 0 53 54 1 0 0 0 0 M END > NP0330852 > NP-MRD > CC1OC(OC2CCC3(C)C(C2)C(CC2(O)C3CCC3(C)C(CCC23O)C2=COC(=O)C=C2)OC(C)=O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O > InChI=1S/C38H56O16/c1-17-32(54-34-30(45)28(43)27(42)24(15-39)53-34)29(44)31(46)33(50-17)52-20-7-10-35(3)22(13-20)23(51-18(2)40)14-37(47)25(35)9-11-36(4)21(8-12-38(36,37)48)19-5-6-26(41)49-16-19/h5-6,16-17,20-25,27-34,39,42-48H,7-15H2,1-4H3 > QCIQMGSHIIHZSS-UHFFFAOYSA-N > C38H56O16 > 768.85 > 768.356835723 > 14 > 110 > 80.1202798796723 > 0 > 8 > 0 > 0 > 5-[(3,4-dihydroxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-10,11-dihydroxy-2,15-dimethyl-14-(2-oxo-2H-pyran-5-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-8-yl acetate > -0.23 > -1.161825518666666 > -2.96 > 1 > 7 > 0 > 12.41765967517905 > 11.909646809968702 > -2.9810835652577543 > 251.35999999999993 > 183.8461 > 8 > 0 > 8.40e-01 g/l > 5-[(3,4-dihydroxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-10,11-dihydroxy-2,15-dimethyl-14-(6-oxopyran-3-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-8-yl acetate > 0 > NP0330852 > 7-[(3,4-dihydroxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-3a,3b-dihydroxy-9a,11a-dimethyl-1-(6-oxopyran-3-yl)-dodecahydro-1h-cyclopenta[a]phenanthren-5-yl acetate $$$$