Mrv1652304292201182D 32 37 0 0 1 0 999 V2000 7.0487 4.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4190 4.1227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2426 4.0748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9656 3.4334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1420 3.4814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7717 4.2186 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2251 4.9079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9481 4.2665 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4948 3.5773 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8651 2.8400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6887 2.7921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0590 2.0548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6712 3.6252 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3009 4.3624 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7543 5.0517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3840 5.7890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5779 5.0038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4854 4.2381 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3516 3.4240 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0845 3.0452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5360 3.2997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1657 4.0369 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7525 4.6169 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6281 5.4324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6428 3.3988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1712 3.5325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4624 4.3044 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0604 4.9426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8745 4.8088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2765 4.4382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8556 5.0569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4015 4.9558 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 2 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 1 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 6 0 0 0 10 11 1 0 0 0 0 5 11 1 0 0 0 0 11 12 2 0 0 0 0 9 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 8 17 1 6 0 0 0 18 14 1 6 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 13 20 1 6 0 0 0 19 21 1 6 0 0 0 22 21 1 6 0 0 0 22 23 1 0 0 0 0 18 23 1 0 0 0 0 23 24 1 1 0 0 0 22 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 22 29 1 0 0 0 0 27 30 1 6 0 0 0 14 31 1 6 0 0 0 6 32 1 6 0 0 0 M END > NP0078187 > NP-MRD > C[C@H]1[C@H]2[C@H](C[C@H]3[C@H]4CC(=O)C5=CC(=O)CC[C@]5(C)[C@H]4CC(=O)[C@]23C)O[C@]11CC[C@@H](C)CO1 > InChI=1S/C27H36O5/c1-14-5-8-27(31-13-14)15(2)24-22(32-27)11-19-17-10-21(29)20-9-16(28)6-7-25(20,3)18(17)12-23(30)26(19,24)4/h9,14-15,17-19,22,24H,5-8,10-13H2,1-4H3/t14-,15+,17+,18+,19+,22+,24+,25-,26-,27-/m1/s1 > PJNWRUYLFKBOLU-PITALYOGSA-N > C27H36O5 > 440.58 > 440.256274259 > 5 > 68 > 49.93936264181858 > 1 > 0 > 0 > 1 > (1'S,2R,2'S,4'S,5R,7'S,8'R,9'S,12'S,13'R)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosan]-17'-ene-10',16',19'-trione > 3.46 > 4.1599846793333315 > -5.24 > 0 > 6 > 0 > 19.428292404741885 > -4.048013658515431 > 69.67 > 120.60090000000001 > 0 > 1 > 2.51e-03 g/l > (1'S,2R,2'S,4'S,5R,7'S,8'R,9'S,12'S,13'R)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosan]-17'-ene-10',16',19'-trione > 0 > NP0078187 > 25R-Spirostan-4-ene-3,6,12-trione $$$$