Mrv2104 03042320142D 34 37 0 0 1 0 999 V2000 1.2336 -0.5346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0458 -0.6798 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3261 -1.4557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1382 -1.6009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6700 -0.9702 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9503 -1.7461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3897 -0.1943 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9215 0.4364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7336 0.2912 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2655 0.9219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0139 -0.4847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8261 -0.6299 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4774 -0.1236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1602 -0.5866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9309 -1.3791 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4373 -2.0304 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2545 -1.9175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7609 -2.5689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5781 -2.4560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0845 -3.1073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9017 -2.9945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7736 -3.8715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1264 -2.7946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6284 0.1710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1064 -1.4059 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4662 -2.1482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5745 -2.0366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4821 -1.1154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7624 -1.8914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2306 -2.5221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1094 0.5816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5776 -0.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6944 0.7676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9658 0.5044 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 2 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 16 23 1 1 0 0 0 12 24 1 6 0 0 0 25 12 1 0 0 0 0 15 25 1 0 0 0 0 25 26 1 1 0 0 0 25 27 1 0 0 0 0 11 28 2 0 0 0 0 5 28 1 0 0 0 0 28 29 1 0 0 0 0 27 29 1 0 0 0 0 29 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 > NP0333444 > 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=C(C)C)[C@@]1(C)CC[C@H](O)C2(C)C > InChI=1S/C30H48O3/c1-18(2)10-9-11-19(3)20-12-15-29(7)26-21(31)16-23-27(4,5)24(33)13-14-28(23,6)25(26)22(32)17-30(20,29)8/h10,19-21,23-24,31,33H,9,11-17H2,1-8H3/t19-,20+,21-,23+,24+,28+,29-,30+/m1/s1 > LMWOKDPRSOTNNS-DFEJGNFESA-N > C30H48O3 > 456.711 > 456.360345406 > 3 > 81 > 55.50913395036139 > 1 > 2 > 0 > 0 > (1S,3aS,4R,5aR,7S,9aS,11aS)-4,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-1-[(2R)-6-methylhept-5-en-2-yl]-1H,2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9H,9aH,10H,11H,11aH-cyclopenta[a]phenanthren-10-one > 5.808578092666668 > 0 > 4 > 0 > 19.553714781930868 > 14.52871659740159 > -0.8070034543187227 > 57.53 > 136.75340000000003 > 4 > 0 > (1S,3aS,4R,5aR,7S,9aS,11aS)-4,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-1-[(2R)-6-methylhept-5-en-2-yl]-1H,2H,3H,4H,5H,5aH,7H,8H,9H,11H-cyclopenta[a]phenanthren-10-one > 0 > NP0333444 > Desmondiin I $$$$