Mrv1533004241506192D 64 71 0 0 0 0 999 V2000 9.4766 5.7489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6960 6.0158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0746 5.4731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2939 5.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6725 5.1973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8317 4.3879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6124 4.1210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2338 4.6637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7716 3.3115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5523 3.0447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1502 2.7689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3094 1.9594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6880 1.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2306 0.7953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1454 2.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0666 0.8741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1403 0.0524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3816 -0.2717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8390 0.3498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4920 -0.3987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2623 1.0579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8607 1.7785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0358 1.7911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6342 2.5118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6125 1.0830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2109 1.8036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0141 0.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5908 -0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7659 -0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3643 0.3874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5394 0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9410 -0.3207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1161 -0.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2912 -0.2956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1104 0.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9353 0.4376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3587 -0.2705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9571 -0.9912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3804 -1.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2053 -1.6868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6286 -2.3949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6069 -0.9661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4318 -0.9535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1836 -0.2580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5851 0.4627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3129 1.1332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4580 1.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4685 1.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1378 1.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5611 1.8287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1595 2.5494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3860 1.8162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7876 1.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7139 1.9172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3695 3.0357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2103 3.8452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4296 4.1120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2704 4.9215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1347 6.5495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3540 6.8163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7561 7.0921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5968 7.9016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5367 6.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1582 7.3679 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 7 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 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 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 19 20 1 0 0 0 0 19 21 1 0 0 0 0 16 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 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 19 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 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 40 42 1 0 0 0 0 42 43 1 0 0 0 0 42 44 1 0 0 0 0 37 44 1 0 0 0 0 44 45 1 0 0 0 0 35 46 1 0 0 0 0 46 47 1 0 0 0 0 46 48 1 0 0 0 0 46 49 1 0 0 0 0 31 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 2 0 0 0 0 50 52 1 0 0 0 0 52 53 1 0 0 0 0 25 53 1 0 0 0 0 30 53 1 0 0 0 0 53 54 1 0 0 0 0 11 55 1 0 0 0 0 55 56 1 0 0 0 0 6 56 1 0 0 0 0 56 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 > NP0272040 > NP-MRD > CC1OC(OC2C(CO)OC(OC(C)(C)C3CCC4(C)C3CC(O)C3(C)C4CCC4C5(C)CCC(OC6OCC(O)C(O)C6O)C(C)(C)C5C(=O)CC34C)C(O)C2O)C(O)C(O)C1O > InChI=1S/C47H78O17/c1-20-30(52)32(54)35(57)40(60-20)63-37-25(18-48)61-41(36(58)33(37)55)64-43(4,5)21-12-14-44(6)22(21)16-28(51)47(9)27(44)11-10-26-45(7)15-13-29(62-39-34(56)31(53)24(50)19-59-39)42(2,3)38(45)23(49)17-46(26,47)8/h20-22,24-41,48,50-58H,10-19H2,1-9H3 > HEUJPDKHSFTORH-UHFFFAOYSA-N > C47H78O17 > 915.124 > 914.523901052 > 17 > 142 > 100.0077331134338 > 0 > 10 > 0 > 0 > 6-(2-{[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}propan-2-yl)-3-hydroxy-1,2,9,14,18,18-hexamethyl-17-[(3,4,5-trihydroxyoxan-2-yl)oxy]pentacyclo[11.8.0.0²,¹⁰.0⁵,⁹.0¹⁴,¹⁹]henicosan-20-one > 0.76 > 0.6132076983333324 > -3.60 > 1 > 8 > 0 > 12.221659115858957 > 11.77091014983832 > -3.5265806236749304 > 274.74999999999994 > 224.80640000000008 > 8 > 0 > 2.32e-01 g/l > 6-(2-{[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}propan-2-yl)-3-hydroxy-1,2,9,14,18,18-hexamethyl-17-[(3,4,5-trihydroxyoxan-2-yl)oxy]pentacyclo[11.8.0.0²,¹⁰.0⁵,⁹.0¹⁴,¹⁹]henicosan-20-one > 0 > NP0272040 > 3-(2-{[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}propan-2-yl)-5-hydroxy-5a,5b,8,8,11a,13b-hexamethyl-9-[(3,4,5-trihydroxyoxan-2-yl)oxy]-tetradecahydro-1h-cyclopenta[a]chrysen-7-one $$$$