Mrv2104 03042320482D 35 38 0 0 1 0 999 V2000 4.9830 2.3821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2939 1.6179 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1111 1.5050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6175 2.1564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4347 2.0435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7456 1.2793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5628 1.1665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8737 0.4023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2392 0.6280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7875 0.9666 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0168 0.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3340 -0.2889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6826 0.2174 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9629 0.9934 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3228 1.7357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4311 1.6241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6190 1.4789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0872 2.1096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4850 -0.5835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8705 0.0722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3387 0.7029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5266 0.5577 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8069 1.3336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2463 -0.2182 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7781 -0.8489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5902 -0.7037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1220 -1.3344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9660 -0.9941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4342 -0.3634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7182 -1.1380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2793 -0.7776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0976 0.2673 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9098 0.1221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1827 1.0432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9948 1.1884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 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 6 7 1 0 0 0 0 7 8 2 0 0 0 0 6 9 1 0 0 0 0 10 2 1 6 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 13 12 1 0 0 0 0 14 13 1 0 0 0 0 10 14 1 0 0 0 0 14 15 1 6 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 13 19 1 1 0 0 0 13 20 1 0 0 0 0 20 21 2 0 0 0 0 17 21 1 0 0 0 0 22 21 1 0 0 0 0 22 23 1 1 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 20 26 1 0 0 0 0 26 27 2 0 0 0 0 24 28 1 6 0 0 0 24 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 32 29 1 0 0 0 0 32 33 1 1 0 0 0 32 34 1 0 0 0 0 34 35 1 0 0 0 0 22 35 1 0 0 0 0 M END > NP0333449 > NP-MRD > [H][C@@]12CC(=O)C3=C(C(=O)C[C@@]4(C)[C@@H](CC[C@]34C)[C@@H](C)CC\C=C(/C)C=O)[C@@]1(C)CC[C@H](O)C2(C)C > InChI=1S/C30H44O4/c1-18(17-31)9-8-10-19(2)20-11-14-29(6)26-21(32)15-23-27(3,4)24(34)12-13-28(23,5)25(26)22(33)16-30(20,29)7/h9,17,19-20,23-24,34H,8,10-16H2,1-7H3/b18-9+/t19-,20-,23-,24-,28-,29+,30-/m0/s1 > FNBCATMXQSEVCJ-KOFFMIFJSA-N > C30H44O4 > 468.678 > 468.323959897 > 4 > 78 > 55.4444612344238 > 1 > 1 > 0 > 0 > (2E,6S)-6-[(1S,3aS,5aR,7S,9aS,11aS)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-4,10-dioxo-1H,2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9H,9aH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enal > 5.405182145000001 > 0 > 4 > 0 > 19.61871110992691 > -0.7783889966037575 > 71.44 > 136.72289999999995 > 5 > 0 > (2E,6S)-6-[(1S,3aS,5aR,7S,9aS,11aS)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-4,10-dioxo-1H,2H,3H,5H,5aH,7H,8H,9H,11H-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enal > 0 > NP0333449 > Desmondiin N $$$$