Mrv1533004241518282D 64 70 0 0 0 0 999 V2000 7.8992 -0.4075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2479 0.0988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4837 -0.2121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8323 0.2943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9452 1.1115 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 4.6425 2.1242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8002 2.2692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6175 2.1564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1238 2.8077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9411 2.6948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4474 3.3462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2647 3.2333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7710 3.8847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4601 4.6488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9665 5.3002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7837 5.1873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2901 5.8386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0946 4.4231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9119 4.3103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5883 3.7718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8992 3.0076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2520 1.9307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0692 1.8178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7456 1.2793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0565 0.5152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9284 1.3922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4220 0.7409 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 3.4850 -0.5835 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 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 3.1814 -0.6920 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 -0.2793 -0.7776 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 -0.0976 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 -2.2537 0.6076 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 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8779 0.3171 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 -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 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1613 1.5287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3492 1.6739 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 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 13 14 1 0 0 0 0 14 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 19 20 1 0 0 0 0 19 21 1 0 0 0 0 14 21 1 0 0 0 0 21 22 1 0 0 0 0 11 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 9 27 1 0 0 0 0 27 28 1 0 0 0 0 6 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 32 33 1 0 0 0 0 32 34 1 0 0 0 0 29 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 32 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 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 43 45 1 0 0 0 0 43 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 37 49 1 0 0 0 0 42 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 2 0 0 0 0 46 52 1 0 0 0 0 52 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 55 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 53 62 1 0 0 0 0 62 63 1 0 0 0 0 2 64 1 0 0 0 0 M END > NP0202461 > NP-MRD > CC(C)=CCCC(C)(OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1CCC1C2(C)CCC2C(C)(C)C(CCC12C=O)OC1OC(CO)C(O)C(O)C1O > InChI=1S/C47H78O17/c1-23(2)9-8-15-46(7,64-42-39(58)36(55)34(53)28(62-42)21-60-40-37(56)32(51)26(50)20-59-40)25-12-16-44(5)24(25)10-11-30-45(44,6)17-13-29-43(3,4)31(14-18-47(29,30)22-49)63-41-38(57)35(54)33(52)27(19-48)61-41/h9,22,24-42,48,50-58H,8,10-21H2,1-7H3 > HQHTWUILTRHXDO-UHFFFAOYSA-N > C47H78O17 > 915.124 > 914.523901052 > 17 > 142 > 99.55618779261624 > 0 > 10 > 0 > 0 > 6,6,10,11-tetramethyl-14-{6-methyl-2-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]hept-5-en-2-yl}-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecane-2-carbaldehyde > 1.50 > 1.1916069536666674 > -3.76 > 1 > 7 > 0 > 12.20254607607116 > 11.75752280480825 > -3.6483775368396385 > 274.74999999999994 > 227.71260000000012 > 13 > 0 > 1.57e-01 g/l > 6,6,10,11-tetramethyl-14-{6-methyl-2-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]hept-5-en-2-yl}-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecane-2-carbaldehyde > 0 > NP0202461 > 3a,3b,6,6-tetramethyl-1-{6-methyl-2-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]hept-5-en-2-yl}-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-dodecahydro-1h-cyclopenta[a]phenanthrene-9a-carbaldehyde $$$$