Mrv1533004241512562D 59 65 0 0 0 0 999 V2000 6.9542 -2.2555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7663 -2.1103 0.0000 O 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 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7026 -0.8489 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 0.5607 0.9312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4155 1.7434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3604 2.0237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0462 2.2752 0.0000 C 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 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 C 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 4 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 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 8 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 11 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 17 27 1 0 0 0 0 22 27 1 0 0 0 0 27 28 1 0 0 0 0 25 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 24 33 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 36 38 1 0 0 0 0 38 39 2 0 0 0 0 33 39 1 0 0 0 0 15 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 41 43 1 0 0 0 0 6 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 45 47 1 0 0 0 0 3 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 51 54 1 0 0 0 0 54 55 1 0 0 0 0 54 56 1 0 0 0 0 56 57 1 0 0 0 0 56 58 1 0 0 0 0 49 58 1 0 0 0 0 58 59 1 0 0 0 0 M END > NP0319835 > NP-MRD > COC1C(O)C(OC2CCC3(C)C(C2)C(CC2(O)C3CCC3(C)C(C(CC23O)OC(C)=O)C2=COC(=O)C=C2)OC(C)=O)OC(C)C1OC1OC(CO)C(O)C(O)C1O > InChI=1S/C41H60O18/c1-18-34(59-36-32(48)31(47)30(46)26(16-42)58-36)35(52-6)33(49)37(54-18)57-22-9-11-38(4)23(13-22)24(55-19(2)43)14-40(50)27(38)10-12-39(5)29(21-7-8-28(45)53-17-21)25(56-20(3)44)15-41(39,40)51/h7-8,17-18,22-27,29-37,42,46-51H,9-16H2,1-6H3 > CCBIBXPDHZFLBE-UHFFFAOYSA-N > C41H60O18 > 840.913 > 840.377965092 > 15 > 119 > 88.22736576941804 > 0 > 7 > 0 > 0 > 8-(acetyloxy)-10,11-dihydroxy-5-[(3-hydroxy-4-methoxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-2,15-dimethyl-14-(2-oxo-2H-pyran-5-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-13-yl acetate > 0.23 > -1.459132407666666 > -3.05 > 1 > 7 > 0 > 12.448660962450308 > 11.940896169688852 > -2.981083565261346 > 266.65999999999997 > 199.29770000000005 > 11 > 0 > 7.47e-01 g/l > 8-(acetyloxy)-10,11-dihydroxy-5-[(3-hydroxy-4-methoxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-2,15-dimethyl-14-(6-oxopyran-3-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-13-yl acetate > 0 > NP0319835 > 5-(acetyloxy)-3a,3b-dihydroxy-7-[(3-hydroxy-4-methoxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-9a,11a-dimethyl-1-(6-oxopyran-3-yl)-dodecahydro-1h-cyclopenta[a]phenanthren-2-yl acetate $$$$