Mrv1652309052217492D 33 36 0 0 1 0 999 V2000 -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 2 0 0 0 0 5 7 1 0 0 0 0 8 7 1 1 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 1 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 10 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 8 18 1 0 0 0 0 18 19 1 0 0 0 0 16 20 1 6 0 0 0 21 20 1 1 0 0 0 21 22 1 0 0 0 0 22 23 1 1 0 0 0 22 24 1 0 0 0 0 24 25 1 6 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 2 0 0 0 0 24 29 1 0 0 0 0 10 29 1 0 0 0 0 29 30 1 6 0 0 0 29 31 1 0 0 0 0 21 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 31 33 1 0 0 0 0 M END > NP0216013 > NP-MRD > CCCCC(=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/C24H34O9/c1-6-7-8-18(27)32-16-10-23(11-29-14(3)25)17(9-13(16)2)33-21-19(28)20(31-15(4)26)22(23,5)24(21)12-30-24/h9,16-17,19-21,28H,6-8,10-12H2,1-5H3/t16-,17+,19+,20+,21+,22+,23+,24?/m0/s1 > QXHICULSTMOREA-GOLADLMOSA-N > C24H34O9 > 466.527 > 466.220282675 > 6 > 67 > 47.92811203658118 > 1 > 1 > 0 > 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 pentanoate > 1.1769871256666655 > 1 > 4 > 0 > 13.072305054496205 > -3.64197376916336 > 120.89000000000001 > 113.5956 > 10 > 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 pentanoate > 0 > NP0216013 > (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 pentanoate $$$$