Mrv1533004171518392D 58 65 0 0 0 0 999 V2000 7.9138 1.3828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1379 1.6631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9927 2.4752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5072 1.1313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7313 1.4116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0484 0.9486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3971 1.4549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1995 0.6540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5850 1.3097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3047 0.5338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4926 0.3886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2123 -0.3873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4002 -0.5326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8683 0.0982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0562 -0.0471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4756 0.5836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2877 0.4384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2241 -0.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0362 -0.9682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3077 -1.4537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0274 -2.2296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1199 -1.3085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6517 -1.9392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9608 1.0193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1486 0.8741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4327 0.0995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4352 0.4599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6168 1.5048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8971 2.2807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7092 2.4259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2411 1.7952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5214 2.5711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0532 1.9404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 2.7164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1456 2.8616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6774 2.2309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0373 2.9732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5020 2.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0083 2.8554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6032 2.2837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3076 3.2909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5053 4.0919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3282 4.1514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6390 3.3872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7637 4.8521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1991 5.5528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0630 5.2876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4643 4.4166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1953 1.3596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7271 1.9903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5392 1.8451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0711 2.4758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7908 3.2517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3226 3.8824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9786 3.3969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6983 4.1728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4468 2.7662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3653 2.9114 0.0000 O 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 2 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 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 15 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 13 22 1 0 0 0 0 22 23 1 0 0 0 0 11 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 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 24 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 9 33 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 7 36 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 5 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 39 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 39 44 1 0 0 0 0 43 45 1 0 0 0 0 45 46 1 0 0 0 0 45 47 1 0 0 0 0 45 48 1 0 0 0 0 28 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 M END > NP0291331 > NP-MRD > CC(=O)OC1CC2(C)C3CC(OC4OC(CO)C(O)C(O)C4O)C4C5(CC35CCC2(C)C1C1(C)CCC(O1)C(C)(C)O)CCC(OC1OCC(O)C(O)C1O)C4(C)C > InChI=1S/C43H70O15/c1-20(45)54-23-16-40(7)25-15-22(55-36-32(51)30(49)29(48)24(17-44)56-36)33-37(2,3)26(57-35-31(50)28(47)21(46)18-53-35)10-12-43(33)19-42(25,43)14-13-39(40,6)34(23)41(8)11-9-27(58-41)38(4,5)52/h21-36,44,46-52H,9-19H2,1-8H3 > LRXKZZFZGZAUSP-UHFFFAOYSA-N > C43H70O15 > 827.018 > 826.471471554 > 14 > 128 > 89.6369034148556 > 0 > 8 > 0 > 0 > 15-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-9-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-[(3,4,5-trihydroxyoxan-2-yl)oxy]pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-14-yl acetate > 1.16 > 0.12958238000000138 > -3.90 > 1 > 8 > 0 > 12.455483801550614 > 11.925284205395153 > -2.9810835427988813 > 234.28999999999996 > 203.73160000000004 > 9 > 0 > 1.05e-01 g/l > 15-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-9-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-[(3,4,5-trihydroxyoxan-2-yl)oxy]pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-14-yl acetate > 0 > NP0291331 > 15-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-9-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-[(3,4,5-trihydroxyoxan-2-yl)oxy]pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-14-yl acetate $$$$