Mrv1652309122216422D 43 48 0 0 1 0 999 V2000 3.1293 -1.3136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1339 -2.1386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8507 -2.5471 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3696 -3.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5486 -3.1356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0675 -3.8058 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4073 -4.5576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2465 -3.7242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7654 -4.3943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0556 -4.3127 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5367 -4.9829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3577 -4.9013 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8389 -5.5714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6598 -5.4898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6975 -4.1495 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5185 -4.0679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2163 -3.4793 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5562 -2.7276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3954 -3.5610 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0858 -2.8908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1820 -1.7915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0030 -1.8731 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7151 -1.4566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3313 -2.0052 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1513 -1.9143 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4826 -1.1588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3026 -1.0679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7913 -1.7326 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6112 -1.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0999 -2.3064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9199 -2.2156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7686 -3.0620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9486 -3.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4600 -2.4882 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1286 -3.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6400 -2.5790 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3087 -3.3346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4887 -3.4254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -2.7607 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5915 -3.4775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1791 -2.6791 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4669 -3.0956 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3853 -3.9166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 2 1 6 0 0 0 3 4 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 6 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 10 9 1 6 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 6 0 0 0 13 14 1 0 0 0 0 12 15 1 0 0 0 0 15 16 1 1 0 0 0 15 17 1 0 0 0 0 17 18 1 6 0 0 0 17 19 1 0 0 0 0 10 19 1 0 0 0 0 19 20 1 1 0 0 0 3 21 1 0 0 0 0 22 21 1 1 0 0 0 22 23 1 0 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 26 1 6 0 0 0 26 27 1 0 0 0 0 28 27 1 1 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 28 34 1 0 0 0 0 34 35 1 1 0 0 0 34 36 1 0 0 0 0 25 36 1 0 0 0 0 36 37 1 1 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 24 39 1 0 0 0 0 39 40 1 1 0 0 0 41 39 1 1 0 0 0 22 41 1 0 0 0 0 41 42 1 0 0 0 0 3 42 1 0 0 0 0 42 43 1 6 0 0 0 M END > NP0329883 > NP-MRD > CO[C@]1(CC[C@H](C)CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H]2C[C@H]3[C@@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C > InChI=1S/C34H56O9/c1-18(17-41-31-30(39)29(38)28(37)26(16-35)42-31)8-13-34(40-5)19(2)27-25(43-34)15-24-22-7-6-20-14-21(36)9-11-32(20,3)23(22)10-12-33(24,27)4/h18-20,22-31,35,37-39H,6-17H2,1-5H3/t18-,19-,20-,22+,23-,24-,25-,26+,27-,28+,29-,30+,31+,32-,33-,34+/m0/s1 > BDENGJXHUIIQRH-IQAJSEAWSA-N > C34H56O9 > 608.813 > 608.392433383 > 9 > 99 > 69.34940786392283 > 1 > 4 > 0 > 0 > (1R,2S,4S,6R,7S,8R,9S,12S,13S,18S)-6-methoxy-7,9,13-trimethyl-6-[(3S)-3-methyl-4-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl]-5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosan-16-one > 3.2509730226666655 > 1 > 6 > 0 > 13.200251468940024 > 12.210973992393747 > -2.981083411797095 > 134.91000000000003 > 159.06239999999997 > 8 > 0 > (1R,2S,4S,6R,7S,8R,9S,12S,13S,18S)-6-methoxy-7,9,13-trimethyl-6-[(3S)-3-methyl-4-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl]-5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosan-16-one > 0 > NP0329883 > (1r,2s,4s,6r,7s,8r,9s,12s,13s,18s)-6-methoxy-7,9,13-trimethyl-6-[(3s)-3-methyl-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl]-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan-16-one $$$$