Mrv2104 03042320082D 35 38 0 0 1 0 999 V2000 7.2632 0.7029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4511 0.5577 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1708 -0.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3587 -0.3634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8269 0.2673 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5466 -0.5086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1072 1.0432 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5754 1.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7633 1.5287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4830 0.7528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0148 0.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7345 -0.6539 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2663 -1.2846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9224 -0.7991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3905 -0.1684 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0307 -0.9107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6708 0.6076 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8685 1.4085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0195 1.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3367 0.6509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5660 -0.1416 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0596 -0.7929 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3705 -1.5571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8642 -2.2084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1750 -2.9726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6687 -3.6239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9796 -4.3881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7968 -4.5009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1486 -3.5111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2424 -0.6800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2314 2.1594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3875 1.8191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9193 1.1884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8025 2.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5311 1.7419 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 5 4 1 0 0 0 0 5 6 1 1 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 10 11 2 0 0 0 0 5 11 1 0 0 0 0 12 11 1 0 0 0 0 12 13 1 1 0 0 0 12 14 1 0 0 0 0 15 14 1 0 0 0 0 15 16 1 6 0 0 0 15 17 1 0 0 0 0 17 10 1 0 0 0 0 17 18 1 1 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 21 20 1 0 0 0 0 15 21 1 0 0 0 0 21 22 1 6 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 26 29 1 0 0 0 0 22 30 1 6 0 0 0 9 31 2 0 0 0 0 7 32 1 6 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 > NP0333443 > NP-MRD > [H][C@@]12CC(=O)C3=C([C@@H](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/C30H46O4/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/h9,17,19-20,22-24,33-34H,8,10-16H2,1-7H3/b18-9+/t19-,20-,22-,23-,24-,28-,29+,30-/m0/s1 > VQGRARXMDOEPFR-CHIYVGQTSA-N > C30H46O4 > 470.694 > 470.339609961 > 4 > 80 > 56.19532887105951 > 1 > 2 > 0 > 0 > (2E,6S)-6-[(1S,3aS,5aR,7S,9aS,10S,11aS)-7,10-dihydroxy-3a,6,6,9a,11a-pentamethyl-4-oxo-1H,2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9H,9aH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enal > 4.841654439333335 > 0 > 4 > 0 > 19.618724764207865 > 14.521038409801543 > -0.7783817402736081 > 74.6 > 137.5452 > 5 > 1 > (2E,6S)-6-[(1S,3aS,5aR,7S,9aS,10S,11aS)-7,10-dihydroxy-3a,6,6,9a,11a-pentamethyl-4-oxo-1H,2H,3H,5H,5aH,7H,8H,9H,10H,11H-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enal > 0 > NP0333443 > Desmondiin H $$$$