Mrv1533004251513452D 64 70 0 0 0 0 999 V2000 2.6885 3.6433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3399 3.1369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1041 3.4478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7554 2.9415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6425 2.1242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2939 1.6179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8002 2.2692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9452 1.1115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7094 1.4224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8222 2.2397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5864 2.5506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6993 3.3678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4634 3.6787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2377 2.0442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0019 2.3551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1249 1.2270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7762 0.7206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3607 0.9161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2479 0.0988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7875 0.9666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0168 0.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3340 -0.2889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6826 0.2174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9629 0.9934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3228 1.7357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4311 1.6241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6190 1.4789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3387 0.7029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8705 0.0722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4023 -0.5585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5902 -0.7037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7781 -0.8489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2463 -0.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4342 -0.3634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7182 -1.1380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2793 -0.7776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0976 0.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1827 1.0432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9948 1.1884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5266 0.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8069 1.3336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2751 1.9643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9098 0.1221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4416 0.7528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1613 1.5287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6931 2.1594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4128 2.9353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9446 3.5660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5052 2.0142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0370 2.6449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7855 1.2383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5976 1.0931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2537 0.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5340 -0.1684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0022 -0.7991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1901 -0.6539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6582 -1.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9385 -2.0605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4067 -2.6912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7507 -2.2057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0310 -2.9816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2825 -1.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0946 -1.7202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2270 2.3197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 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 6 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 11 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 9 18 1 0 0 0 0 18 19 1 0 0 0 0 6 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 20 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 23 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 34 35 1 0 0 0 0 34 36 1 0 0 0 0 34 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 28 40 1 0 0 0 0 33 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 37 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 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 58 60 1 0 0 0 0 60 61 1 0 0 0 0 60 62 1 0 0 0 0 55 62 1 0 0 0 0 62 63 1 0 0 0 0 2 64 1 0 0 0 0 M END > NP0262453 > NP-MRD > CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2C1(C)CCC1C2(C)CCC2C(C)(C)C(CCC12C=O)OC1OC(CO)C(O)C(O)C1OC1OCC(O)C(O)C1O > InChI=1S/C47H78O17/c1-23(2)9-8-15-46(7,64-41-38(58)35(55)33(53)25(19-48)60-41)29-11-10-28-44(29,5)17-13-30-45(28,6)16-12-27-43(3,4)31(14-18-47(27,30)22-50)62-42-39(36(56)34(54)26(20-49)61-42)63-40-37(57)32(52)24(51)21-59-40/h9,22,24-42,48-49,51-58H,8,10-21H2,1-7H3 > KXLFZYOSEJTPHM-UHFFFAOYSA-N > C47H78O17 > 915.124 > 914.523901052 > 17 > 142 > 98.67597408562831 > 0 > 10 > 0 > 0 > 5-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-6,6,10,15-tetramethyl-14-(6-methyl-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hept-5-en-2-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecane-2-carbaldehyde > 1.59 > 1.1916069536666674 > -3.69 > 1 > 7 > 0 > 12.333000728109194 > 11.86149771688457 > -3.5265806826167294 > 274.74999999999994 > 227.71260000000004 > 13 > 0 > 1.87e-01 g/l > 5-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-6,6,10,15-tetramethyl-14-(6-methyl-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hept-5-en-2-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecane-2-carbaldehyde > 0 > NP0262453 > 7-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-3b,6,6,11a-tetramethyl-1-(6-methyl-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hept-5-en-2-yl)-dodecahydro-1h-cyclopenta[a]phenanthrene-9a-carbaldehyde $$$$