Mrv2104 03042320212D 35 38 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 1 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 -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 1 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 1.1039 3.1021 0.0000 O 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 C 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 -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 9 8 1 0 0 0 0 9 10 1 1 0 0 0 9 11 1 0 0 0 0 12 11 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 15 14 1 0 0 0 0 15 16 1 1 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 1 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 16 24 1 1 0 0 0 12 25 1 6 0 0 0 26 12 1 0 0 0 0 15 26 1 0 0 0 0 26 27 1 1 0 0 0 26 28 1 0 0 0 0 11 29 2 0 0 0 0 5 29 1 0 0 0 0 29 30 1 0 0 0 0 28 30 1 0 0 0 0 30 31 2 0 0 0 0 7 32 1 1 0 0 0 7 33 1 0 0 0 0 2 33 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 M END > NP0333445 > NP-MRD > [H][C@@]12C[C@@H](O)C3=C(C(=O)C[C@@]4(C)[C@@H](CC[C@]34C)[C@H](C)CCC(O)C(C)=C)[C@@]1(C)CC[C@H](O)C2(C)C > InChI=1S/C30H48O4/c1-17(2)20(31)10-9-18(3)19-11-14-29(7)26-21(32)15-23-27(4,5)24(34)12-13-28(23,6)25(26)22(33)16-30(19,29)8/h18-21,23-24,31-32,34H,1,9-16H2,2-8H3/t18-,19+,20?,21-,23+,24+,28+,29-,30+/m1/s1 > YXLWXWZVFCOKHG-JVMPJFQBSA-N > C30H48O4 > 472.71 > 472.355260026 > 4 > 82 > 55.93197001445128 > 1 > 3 > 0 > 0 > (1S,3aS,4R,5aR,7S,9aS,11aS)-4,7-dihydroxy-1-[(2R)-5-hydroxy-6-methylhept-6-en-2-yl]-3a,6,6,9a,11a-pentamethyl-1H,2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9H,9aH,10H,11H,11aH-cyclopenta[a]phenanthren-10-one > 4.635700696000002 > 0 > 4 > 0 > 17.99620697620144 > 14.528716597405124 > -0.7248191768758658 > 77.75999999999999 > 137.1964 > 5 > 1 > (1S,3aS,4R,5aR,7S,9aS,11aS)-4,7-dihydroxy-1-[(2R)-5-hydroxy-6-methylhept-6-en-2-yl]-3a,6,6,9a,11a-pentamethyl-1H,2H,3H,4H,5H,5aH,7H,8H,9H,11H-cyclopenta[a]phenanthren-10-one > 0 > NP0333445 > Desmondiin J $$$$