Mrv1533004201506172D 64 71 0 0 0 0 999 V2000 11.0723 2.8356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7920 2.0597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9799 1.9145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6996 1.1386 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 8.6072 0.2174 0.0000 C 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 5.0784 -1.1393 0.0000 O 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 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 C 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 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 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 1.7603 -1.2284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4648 -0.2212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2627 -0.6103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1175 -1.4224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6997 -1.5353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0888 -2.2628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0051 -0.2504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6879 -0.7134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6284 -1.5362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4303 -0.3535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1131 -0.8165 0.0000 O 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 6.5311 1.7419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8025 2.0051 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 8.0466 -1.3344 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 9.1390 -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 10.4829 -0.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2026 -1.6747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7345 -2.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5466 -2.1602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0784 -2.7909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8269 -1.3843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6390 -1.2390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2951 -0.7535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5754 0.0224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2314 0.5079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4607 -0.2846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0435 0.6531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8445 0.4554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3238 1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1360 1.5742 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 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 12 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 18 19 1 0 0 0 0 18 20 1 0 0 0 0 12 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 23 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 18 27 1 0 0 0 0 23 27 1 0 0 0 0 27 28 1 0 0 0 0 24 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 29 34 1 0 0 0 0 34 35 1 0 0 0 0 36 32 1 4 0 0 0 36 37 2 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 39 40 1 0 0 0 0 15 41 1 0 0 0 0 9 41 1 0 0 0 0 41 42 1 0 0 0 0 41 43 1 0 0 0 0 7 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 46 48 1 0 0 0 0 6 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 53 54 1 0 0 0 0 53 55 1 0 0 0 0 55 56 1 0 0 0 0 55 57 1 0 0 0 0 50 57 1 0 0 0 0 57 58 1 0 0 0 0 4 59 1 0 0 0 0 59 60 1 0 0 0 0 59 61 1 0 0 0 0 61 62 1 0 0 0 0 61 63 1 0 0 0 0 2 63 1 0 0 0 0 63 64 1 0 0 0 0 M END > NP0319346 > NP-MRD > CC1OC(OC2C(OC3CCC4(C=O)C(CCC5(C)C4CCC4C(CCC54C)C4(O)CC(OC4O)C=C(C)CO)C3(C)C)OCC(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O > InChI=1S/C46H74O18/c1-21(17-47)15-23-16-46(57,41(56)61-23)25-9-12-43(5)24(25)7-8-29-44(43,6)13-10-28-42(3,4)30(11-14-45(28,29)20-48)62-40-37(64-39-35(55)33(53)31(51)22(2)60-39)36(27(50)19-59-40)63-38-34(54)32(52)26(49)18-58-38/h15,20,22-41,47,49-57H,7-14,16-19H2,1-6H3 > HJZANVITQIWUMZ-UHFFFAOYSA-N > C46H74O18 > 915.08 > 914.487515543 > 18 > 138 > 98.46178812716468 > 0 > 10 > 0 > 0 > 14-[2,3-dihydroxy-5-(3-hydroxy-2-methylprop-1-en-1-yl)oxolan-3-yl]-5-({5-hydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-6,6,10,11-tetramethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecane-2-carbaldehyde > 0.29 > 0.03504529666666786 > -3.24 > 1 > 8 > 0 > 11.978182468699073 > 11.148721160880305 > -3.5337458080203996 > 283.97999999999996 > 222.51650000000006 > 10 > 0 > 5.26e-01 g/l > 14-[2,3-dihydroxy-5-(3-hydroxy-2-methylprop-1-en-1-yl)oxolan-3-yl]-5-({5-hydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-6,6,10,11-tetramethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecane-2-carbaldehyde > 0 > NP0319346 > 1-[2,3-dihydroxy-5-(3-hydroxy-2-methylprop-1-en-1-yl)oxolan-3-yl]-7-({5-hydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-3a,3b,6,6-tetramethyl-dodecahydro-1h-cyclopenta[a]phenanthrene-9a-carbaldehyde $$$$