Mrv1533004241515402D 59 66 0 0 0 0 999 V2000 8.4348 -7.6490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9640 -7.5440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1289 -8.2290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2796 -6.8080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4592 -6.7210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1244 -5.9670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3040 -5.8799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9692 -5.1259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1488 -5.0389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4548 -4.4590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1199 -3.7050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2995 -3.6179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9647 -2.8639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8140 -4.2849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2752 -4.5460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7607 -3.8790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4259 -3.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6055 -3.0380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9115 -2.4581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6100 -5.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4304 -5.3870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7652 -6.1410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2508 -5.4741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0712 -5.5611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6848 -5.0097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3989 -5.4229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1837 -5.1687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3561 -4.3619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1409 -4.1077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3132 -3.3009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7535 -4.6603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5383 -4.4062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1509 -4.9588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9786 -5.7656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1937 -6.0198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5812 -5.4671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4089 -6.2739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7963 -5.7213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6240 -6.5281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8391 -6.7823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2266 -6.2297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9709 -7.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4060 -6.3151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9204 -6.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2552 -7.7361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1000 -6.8950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6145 -7.5620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9358 -4.7046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5483 -5.2572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3332 -5.0031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9458 -5.5557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7306 -5.3015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9029 -4.4947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7734 -6.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3860 -6.9151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9886 -6.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8163 -7.4235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3760 -6.0640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5911 -6.3182 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 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 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 10 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 15 20 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 4 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 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 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 35 36 1 0 0 0 0 31 36 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 27 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 26 41 1 0 0 0 0 41 42 1 0 0 0 0 41 43 1 0 0 0 0 24 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 44 46 1 0 0 0 0 22 46 1 0 0 0 0 46 47 1 0 0 0 0 33 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 51 54 1 0 0 0 0 54 55 1 0 0 0 0 54 56 1 0 0 0 0 56 57 1 0 0 0 0 56 58 1 0 0 0 0 49 58 1 0 0 0 0 58 59 1 0 0 0 0 M END > NP0172092 > NP-MRD > CC(C)C1OC2OC(C)C(OC(C)=O)C(OC(C)=O)C2OC11OC2CC3C4CC(=O)C5CC(CCC5(C)C4CCC3(C)C2C(C)C1O)OC1OC(CO)C(O)C(O)C1O > InChI=1S/C43H66O16/c1-17(2)38-43(59-36-35(54-21(6)46)34(53-20(5)45)19(4)52-40(36)57-38)37(51)18(3)30-28(58-43)15-25-23-14-27(47)26-13-22(9-11-41(26,7)24(23)10-12-42(25,30)8)55-39-33(50)32(49)31(48)29(16-44)56-39/h17-19,22-26,28-40,44,48-51H,9-16H2,1-8H3 > PUAIOAQCDUCAAR-UHFFFAOYSA-N > C43H66O16 > 838.985 > 838.435086045 > 14 > 125 > 90.3226947905753 > 0 > 5 > 0 > 0 > 8'-(acetyloxy)-7-hydroxy-6',8,10,14-tetramethyl-20-oxo-3'-(propan-2-yl)-17-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-hexahydro-5-oxaspiro[pentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁴,¹⁹]henicosane-6,2'-pyrano[2,3-b][1,4]dioxine]-7'-yl acetate > 1.97 > 2.42704748966667 > -3.73 > 1 > 8 > 0 > 12.833206832211538 > 12.139220858970008 > -2.981083541530082 > 226.19999999999996 > 202.29780000000002 > 8 > 0 > 1.55e-01 g/l > 8'-(acetyloxy)-7-hydroxy-3'-isopropyl-6',8,10,14-tetramethyl-20-oxo-17-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-hexahydro-5-oxaspiro[pentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁴,¹⁹]henicosane-6,2'-pyrano[2,3-b][1,4]dioxine]-7'-yl acetate > 0 > NP0172092 > 7'-(acetyloxy)-7-hydroxy-3'-isopropyl-6',8,10,14-tetramethyl-20-oxo-17-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-hexahydro-5-oxaspiro[pentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁴,¹⁹]henicosane-6,2'-pyrano[2,3-b][1,4]dioxin]-8'-yl acetate $$$$