Mrv2104 03042320422D 34 37 0 0 1 0 999 V2000 -7.3495 0.9123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5426 1.0839 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.9905 0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1836 0.6423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9286 1.4269 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.3766 0.8138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4807 2.0400 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.2257 2.8246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4187 2.9962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8667 2.3831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0597 2.5546 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6472 3.2691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8403 3.0975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7540 2.2771 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0396 1.8646 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3251 2.2771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3894 1.8646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1039 2.2771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8183 1.8646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5328 2.2771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8183 1.0396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0396 1.0396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5447 3.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5077 1.9415 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8946 1.3895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7626 1.1569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1217 1.5984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5696 0.9854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8246 0.2007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1638 3.7808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0327 2.6531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2876 1.8685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4872 2.6690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0629 2.1507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 5 4 1 0 0 0 0 5 6 1 6 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 11 10 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 14 13 1 0 0 0 0 14 15 1 1 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 2 0 0 0 0 15 22 1 6 0 0 0 11 23 1 6 0 0 0 24 11 1 0 0 0 0 14 24 1 0 0 0 0 24 25 1 1 0 0 0 24 26 1 0 0 0 0 10 27 2 0 0 0 0 5 27 1 0 0 0 0 27 28 1 0 0 0 0 26 28 1 0 0 0 0 28 29 2 0 0 0 0 9 30 2 0 0 0 0 7 31 1 1 0 0 0 7 32 1 0 0 0 0 2 32 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 M END > NP0333448 > NP-MRD > [H][C@@]12CC(=O)C3=C(C(=O)C[C@@]4(C)[C@@H](CC[C@]34C)[C@@H](C)CCCC(C)=O)[C@@]1(C)CC[C@H](O)C2(C)C > InChI=1S/C29H44O4/c1-17(9-8-10-18(2)30)19-11-14-28(6)25-20(31)15-22-26(3,4)23(33)12-13-27(22,5)24(25)21(32)16-29(19,28)7/h17,19,22-23,33H,8-16H2,1-7H3/t17-,19-,22-,23-,27-,28+,29-/m0/s1 > YSEUJPGWRXPFLR-KCBDQBBZSA-N > C29H44O4 > 456.667 > 456.323959897 > 4 > 77 > 54.552831166963394 > 1 > 1 > 0 > 0 > (1S,3aS,5aR,7S,9aS,11aS)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-1-[(2S)-6-oxoheptan-2-yl]-1H,2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9H,9aH,10H,11H,11aH-cyclopenta[a]phenanthrene-4,10-dione > 5.055481276 > 0 > 4 > 0 > 19.61871110992691 > 19.557452684248076 > -0.7785753042234159 > 71.44 > 131.14799999999997 > 5 > 0 > (1S,3aS,5aR,7S,9aS,11aS)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-1-[(2S)-6-oxoheptan-2-yl]-1H,2H,3H,5H,5aH,7H,8H,9H,11H-cyclopenta[a]phenanthrene-4,10-dione > 0 > NP0333448 > Desmondiin M $$$$