Mrv1652309052205092D 41 45 0 0 1 0 999 V2000 -1.5664 -3.9785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3728 -3.1765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9706 -2.6080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5815 -2.9431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3880 -2.1412 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0266 -1.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0164 -0.7939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8229 -0.9675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3651 -0.0462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3651 -0.2876 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5387 0.5190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4369 -0.4811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9592 0.1575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7856 -1.2287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4185 -1.9676 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9249 -2.6189 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6955 -3.4114 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0804 -3.6917 0.0000 O 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 0 0 0 0 0 0 0 0 0 0 1.7494 -2.5921 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3895 -1.8497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2812 -1.9614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0934 -2.1066 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6252 -1.4759 0.0000 O 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 0 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 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 2.5903 -4.9199 0.0000 O 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 2.3100 -4.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 5 4 1 1 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 10 11 1 1 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 5 15 1 0 0 0 0 15 16 1 1 0 0 0 16 17 1 1 0 0 0 17 18 1 1 0 0 0 17 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 16 21 1 0 0 0 0 21 22 1 1 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 1 0 0 0 26 24 1 6 0 0 0 26 27 1 0 0 0 0 27 28 1 6 0 0 0 27 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 33 36 1 0 0 0 0 27 36 1 0 0 0 0 36 37 1 6 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 38 40 1 0 0 0 0 20 40 1 0 0 0 0 26 40 1 0 0 0 0 40 41 1 6 0 0 0 M END > NP0206785 > NP-MRD > CC(=O)O[C@H]1OC(C)(C)[C@@H](O)C(=O)C[C@H]1[C@@H]1[C@H](O)C=C2[C@@]1(C)C[C@@H](O)[C@@H]1[C@@]3(C)C=CC(=O)C(C)(C)[C@@H]3CC(=O)[C@@]21C > InChI=1S/C32H44O9/c1-15(33)40-27-16(11-18(35)26(39)29(4,5)41-27)24-17(34)12-21-31(24,7)14-19(36)25-30(6)10-9-22(37)28(2,3)20(30)13-23(38)32(21,25)8/h9-10,12,16-17,19-20,24-27,34,36,39H,11,13-14H2,1-8H3/t16-,17+,19+,20-,24+,25+,26-,27-,30-,31+,32+/m0/s1 > YPQPTAXEFLQNSC-QIVYFMOPSA-N > C32H44O9 > 572.695 > 572.298532997 > 8 > 85 > 61.426172058097315 > 1 > 3 > 0 > 0 > (2R,3S,6R)-3-[(1R,2S,7R,10R,13R,14S,15S,17R)-13,17-dihydroxy-2,6,6,10,15-pentamethyl-5,9-dioxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,11-dien-14-yl]-6-hydroxy-7,7-dimethyl-5-oxooxepan-2-yl acetate > 2.144301537333333 > 0 > 5 > 0 > 14.059663487518822 > 12.263798512364643 > -2.8644825670311214 > 147.43 > 150.19640000000004 > 3 > 0 > (2R,3S,6R)-3-[(1R,2S,7R,10R,13R,14S,15S,17R)-13,17-dihydroxy-2,6,6,10,15-pentamethyl-5,9-dioxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,11-dien-14-yl]-6-hydroxy-7,7-dimethyl-5-oxooxepan-2-yl acetate > 0 > NP0206785 > (2r,3s,6r)-3-[(1s,2r,3br,5ar,9as,9br,10r,11as)-2,10-dihydroxy-3b,6,6,9a,11a-pentamethyl-4,7-dioxo-1h,2h,5h,5ah,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]-6-hydroxy-7,7-dimethyl-5-oxooxepan-2-yl acetate $$$$