Mrv1652309102208542D 34 37 0 0 1 0 999 V2000 -4.8697 -3.6530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1552 -4.0655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4408 -3.6530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7263 -4.0655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0118 -3.6530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2974 -4.0655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2974 -4.8905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5829 -3.6530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1316 -4.0655 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8461 -3.6530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5605 -4.0655 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4989 -3.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7556 -2.8848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6939 -2.0621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3756 -1.5974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0494 -1.7042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5605 -4.8905 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8461 -5.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1316 -4.8905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5829 -5.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2055 -5.4049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0099 -5.2213 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3678 -4.4780 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1928 -4.4780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0099 -3.7347 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5242 -3.0897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3400 -3.2126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8544 -2.5676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6414 -3.9806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2055 -3.5511 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0220 -2.7468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8165 -4.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2812 -3.6040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6392 -4.3473 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 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 9 8 1 1 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 1 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 11 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 9 19 1 0 0 0 0 19 20 1 0 0 0 0 17 21 1 6 0 0 0 22 21 1 1 0 0 0 22 23 1 0 0 0 0 23 24 1 1 0 0 0 23 25 1 0 0 0 0 25 26 1 6 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 2 0 0 0 0 25 30 1 0 0 0 0 11 30 1 0 0 0 0 30 31 1 6 0 0 0 30 32 1 0 0 0 0 22 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 32 34 1 0 0 0 0 M END > NP0296977 > NP-MRD > CCCCCC(=O)O[C@H]1C[C@@]2(COC(C)=O)[C@H](O[C@@H]3[C@H](O)[C@@H](OC(C)=O)[C@@]2(C)C32CO2)C=C1C > InChI=1S/C25H36O9/c1-6-7-8-9-19(28)33-17-11-24(12-30-15(3)26)18(10-14(17)2)34-22-20(29)21(32-16(4)27)23(24,5)25(22)13-31-25/h10,17-18,20-22,29H,6-9,11-13H2,1-5H3/t17-,18+,20+,21+,22+,23+,24+,25?/m0/s1 > NTQOBLPQKXJXCZ-BFAIXHJHSA-N > C25H36O9 > 480.554 > 480.235932739 > 6 > 70 > 50.97581165812275 > 1 > 1 > 0 > 0 > (1'S,2'R,4'S,7'R,9'R,10'R,11'S)-11'-(acetyloxy)-2'-[(acetyloxy)methyl]-10'-hydroxy-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0^{2,7}]dodecan]-5'-en-4'-yl hexanoate > 1.6215557906666658 > 1 > 4 > 0 > 13.072305054496205 > -3.64197376916336 > 120.89000000000001 > 118.1966 > 11 > 1 > (1'S,2'R,4'S,7'R,9'R,10'R,11'S)-11'-(acetyloxy)-2'-[(acetyloxy)methyl]-10'-hydroxy-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0^{2,7}]dodecan]-5'-en-4'-yl hexanoate > 0 > NP0296977 > (1's,2'r,4's,7'r,9'r,10'r,11's)-11'-(acetyloxy)-2'-[(acetyloxy)methyl]-10'-hydroxy-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-4'-yl hexanoate $$$$