Mrv1652309042218102D 31 35 0 0 1 0 999 V2000 3.2991 2.9512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8084 2.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9887 2.3813 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5962 3.1373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7318 3.1713 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6710 3.9941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7111 2.4259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5307 2.3321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5703 1.7320 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3520 0.9156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8895 0.2897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4761 0.8243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8244 1.5781 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6336 1.7385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2162 2.1408 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9514 2.5150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1134 3.0116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7166 3.5744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4980 1.7181 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0406 1.0316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8271 0.9616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6468 0.8682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1375 1.5315 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6281 2.1947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4478 2.1014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7769 1.3448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5966 1.2515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2862 0.6816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4665 0.7749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3446 -0.0410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7219 0.4197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 3 2 1 6 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 6 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 9 7 1 6 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 6 0 0 0 13 15 1 0 0 0 0 9 15 1 0 0 0 0 15 16 1 1 0 0 0 15 17 1 0 0 0 0 5 17 1 0 0 0 0 17 18 2 0 0 0 0 9 19 1 0 0 0 0 3 19 1 0 0 0 0 19 20 1 6 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 23 22 1 1 0 0 0 2 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 23 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 M END > NP0197834 > NP-MRD > C[C@H]1OC(=O)[C@]23C(=C)[C@](C)(C[C@@H]4C(=C)[C@]5(CC[C@@]24C)C=CC(=O)OC5(C)C)C(=O)[C@@]13O > InChI=1S/C25H30O6/c1-13-16-12-21(6)14(2)24(19(28)30-15(3)25(24,29)18(21)27)22(16,7)10-11-23(13)9-8-17(26)31-20(23,4)5/h8-9,15-16,29H,1-2,10-12H2,3-7H3/t15-,16-,21+,22-,23-,24-,25+/m1/s1 > YJDXBOGRIUMCLZ-VFWPQXLUSA-N > C25H30O6 > 426.509 > 426.204238686 > 4 > 61 > 44.30987784191636 > 1 > 1 > 0 > 1 > (1'S,2'R,3S,7'R,9'S,11'S,12'R)-11'-hydroxy-2,2,2',9',12'-pentamethyl-6',15'-dimethylidene-2,6-dihydro-13'-oxaspiro[pyran-3,5'-tetracyclo[7.5.1.0^{1,11}.0^{2,7}]pentadecane]-6,10',14'-trione > 3.300184941666666 > 0 > 5 > 0 > 11.439240515425352 > -4.35627619855295 > 89.9 > 112.73159999999999 > 0 > 1 > (1'S,2'R,3S,7'R,9'S,11'S,12'R)-11'-hydroxy-2,2,2',9',12'-pentamethyl-6',15'-dimethylidene-13'-oxaspiro[pyran-3,5'-tetracyclo[7.5.1.0^{1,11}.0^{2,7}]pentadecane]-6,10',14'-trione > 0 > NP0197834 > (1's,2'r,3s,7'r,9's,11's,12'r)-11'-hydroxy-2,2,2',9',12'-pentamethyl-6',15'-dimethylidene-13'-oxaspiro[pyran-3,5'-tetracyclo[7.5.1.0¹,¹¹.0²,⁷]pentadecane]-6,10',14'-trione $$$$