Mrv1652309122212432D 45 49 0 0 1 0 999 V2000 -1.6069 0.6378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1006 -0.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2833 0.0993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4115 -0.7777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9051 -1.4291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0879 -1.3162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4185 -1.9676 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2328 -2.4739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0698 -1.4612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9249 -2.6189 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6955 -3.4114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3784 -3.8744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0297 -3.3680 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2274 -4.1690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7494 -2.5921 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2812 -1.9614 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0009 -1.1854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0934 -2.1066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3737 -2.8825 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1858 -3.0277 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9055 -2.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7176 -2.3970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5297 -2.5422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8100 -3.3182 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6221 -3.4634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2782 -3.9489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9917 -4.3631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9942 -4.7234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4661 -3.8037 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9343 -4.4344 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2146 -5.2103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6827 -5.8410 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9630 -6.6169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4312 -7.2476 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7115 -8.0235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5236 -8.1688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6191 -7.1024 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0873 -7.7331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3388 -6.3265 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5267 -6.1813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8706 -5.6958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5903 -4.9199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1221 -4.2891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8418 -3.5132 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5309 -4.2774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 1 0 0 0 7 9 1 1 0 0 0 10 7 1 6 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 1 0 0 0 15 13 1 6 0 0 0 10 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 6 0 0 0 16 18 1 0 0 0 0 19 18 1 6 0 0 0 19 20 1 0 0 0 0 20 21 1 6 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 6 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 29 26 1 6 0 0 0 20 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 1 0 0 0 32 31 1 6 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 6 0 0 0 35 36 1 0 0 0 0 34 37 1 0 0 0 0 37 38 1 1 0 0 0 37 39 1 0 0 0 0 39 40 1 6 0 0 0 39 41 1 0 0 0 0 32 41 1 0 0 0 0 41 42 1 1 0 0 0 30 43 1 0 0 0 0 43 44 1 0 0 0 0 19 44 1 0 0 0 0 13 44 1 0 0 0 0 44 45 1 6 0 0 0 M END > NP0327807 > NP-MRD > CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@H](C[C@@]21C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O > InChI=1S/C36H62O9/c1-19(2)10-9-13-36(8,43)20-11-15-34(6)26(20)21(38)16-24-33(5)14-12-25(39)32(3,4)30(33)22(17-35(24,34)7)44-31-29(42)28(41)27(40)23(18-37)45-31/h10,20-31,37-43H,9,11-18H2,1-8H3/t20-,21+,22-,23+,24+,25-,26+,27+,28-,29+,30-,31+,33+,34+,35+,36-/m0/s1 > RAQNTCRNSXYLAH-AWJPBMSFSA-N > C36H62O9 > 638.883 > 638.439383576 > 9 > 107 > 73.55720926184833 > 0 > 7 > 0 > 0 > (2R,3R,4S,5S,6R)-2-{[(1R,2R,5S,7R,8S,10R,11R,14S,15S,16R)-5,16-dihydroxy-14-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-2,6,6,10,11-pentamethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-8-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol > 2.4523373623333296 > 1 > 5 > 0 > 13.170860990607942 > 12.207106820940874 > -2.838900957340167 > 160.07 > 171.2417 > 7 > 0 > (2R,3R,4S,5S,6R)-2-{[(1R,2R,5S,7R,8S,10R,11R,14S,15S,16R)-5,16-dihydroxy-14-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-2,6,6,10,11-pentamethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-8-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol > 0 > NP0327807 > (2r,3r,4s,5s,6r)-2-{[(1s,3ar,3br,5s,5ar,7s,9ar,9br,11r,11as)-7,11-dihydroxy-1-[(2s)-2-hydroxy-6-methylhept-5-en-2-yl]-3a,3b,6,6,9a-pentamethyl-dodecahydro-1h-cyclopenta[a]phenanthren-5-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol $$$$