Mrv0541 02241208402D 37 42 0 0 0 0 999 V2000 -2.1572 -0.8248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1572 -1.6499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4427 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7282 -1.6499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7282 -0.8248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4427 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0139 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7003 -1.6499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7003 -0.8248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0139 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4149 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4149 0.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7003 0.8248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0139 0.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 -0.8248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8437 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8437 0.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 0.8248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5582 0.8248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5582 1.6499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8437 2.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 1.6499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7282 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8552 -2.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0302 -2.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7003 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4149 -1.2374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2244 -0.0353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7003 1.6499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4312 2.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2563 2.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5582 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4349 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9163 -2.0883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6757 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4349 -2.0884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6757 -0.7733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 2 34 1 0 0 0 0 3 4 1 0 0 0 0 3 24 1 0 0 0 0 3 25 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 5 23 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 26 1 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 11 27 1 0 0 0 0 12 13 1 0 0 0 0 12 18 1 0 0 0 0 12 28 1 0 0 0 0 13 14 1 0 0 0 0 13 29 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 17 32 1 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 30 1 0 0 0 0 21 31 1 0 0 0 0 28 32 1 0 0 0 0 32 33 2 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 35 37 2 0 0 0 0 M END > NP0309756 > NP-MRD > CC(=O)OC1CCC2(C)C(CCC3(C)C2CC(O)C24OC(=O)C5(CCC(C)(C)CC25)CCC34C)C1(C)C > InChI=1S/C32H50O5/c1-19(33)36-24-10-11-28(6)20(27(24,4)5)9-12-29(7)21(28)17-23(34)32-22-18-26(2,3)13-15-31(22,25(35)37-32)16-14-30(29,32)8/h20-24,34H,9-18H2,1-8H3 > SFSFDBPTPLSWRM-UHFFFAOYSA-N > C32H50O5 > 514.7364 > 514.36582471 > 3 > 60.307867198671275 > 0 > 1 > 0 > 0 > 16-hydroxy-4,5,9,9,13,20,20-heptamethyl-23-oxo-24-oxahexacyclo[15.5.2.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracosan-10-yl acetate > 5.76 > 5.949759807666666 > -6.45 > 0 > 6 > 0 > 13.932089866845573 > -3.265903892241747 > 72.83000000000001 > 141.24640000000002 > 2 > 0 > 1.85e-04 g/l > 16-hydroxy-4,5,9,9,13,20,20-heptamethyl-23-oxo-24-oxahexacyclo[15.5.2.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracosan-10-yl acetate > 0 > NP0309756 > 16-hydroxy-4,5,9,9,13,20,20-heptamethyl-23-oxo-24-oxahexacyclo[15.5.2.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracosan-10-yl acetate $$$$