70447244 -OEChem-05132418552D 62 65 0 1 0 0 0 0 0999 V2000 11.7851 1.6575 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 8.0319 2.2530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7950 1.4967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0465 2.8825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8722 2.0659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6979 1.2492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1934 2.5704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3767 0.7447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 0.9967 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3931 -0.0033 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5271 -0.5033 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6610 -0.0033 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3393 1.3014 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5271 1.4967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6610 0.9967 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3393 -0.3081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7510 -0.5102 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9229 0.4967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5431 -1.5448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6451 -2.0726 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.3931 1.9967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7430 -1.5518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1493 1.8878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7587 0.4898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8242 0.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6489 -3.0726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8076 -2.1015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0622 1.4795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8763 -0.4740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -1.5590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4830 -0.8486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2664 -0.9226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3972 0.4217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9256 1.9716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1285 1.9716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6610 1.6167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0883 -0.8750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8767 -0.6173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3838 0.0819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3838 0.9114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7612 -2.1252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1523 -1.4293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1087 -2.3836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0131 1.9967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 2.6167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7731 1.9967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3787 0.4850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7635 1.1098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1388 0.4946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8361 0.6738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4476 2.7130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7950 2.1167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0289 -3.0750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6513 -3.6926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2689 -3.0702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 -2.7215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7146 0.9661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5074 1.0480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3430 -0.1579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2001 1.6128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8298 3.0726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 1 9 2 0 0 0 0 14 2 1 6 0 0 0 2 52 1 0 0 0 0 16 3 1 1 0 0 0 3 53 1 0 0 0 0 4 24 2 0 0 0 0 5 29 1 0 0 0 0 6 31 2 0 0 0 0 7 61 1 0 0 0 0 8 62 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 10 15 1 0 0 0 0 10 22 1 1 0 0 0 11 12 1 0 0 0 0 11 17 1 0 0 0 0 11 32 1 6 0 0 0 12 13 1 0 0 0 0 12 20 1 0 0 0 0 12 33 1 1 0 0 0 13 16 1 0 0 0 0 13 18 1 0 0 0 0 13 34 1 6 0 0 0 14 19 1 0 0 0 0 14 24 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 37 1 0 0 0 0 17 19 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 23 1 0 0 0 0 18 25 1 1 0 0 0 18 26 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 21 23 1 0 0 0 0 21 27 1 0 0 0 0 21 44 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 28 2 0 0 0 0 24 29 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 26 30 2 0 0 0 0 26 51 1 0 0 0 0 27 54 1 0 0 0 0 27 55 1 0 0 0 0 27 56 1 0 0 0 0 28 31 1 0 0 0 0 28 57 1 0 0 0 0 29 58 1 0 0 0 0 29 59 1 0 0 0 0 30 31 1 0 0 0 0 30 60 1 0 0 0 0 M END > 70447244 > 1 > 921 > 8 > 4 > 4 > AAADceB4PAIAAAAAAAAAAAAAAAAAAYAAAAAwYIAAAAAAAGDAAAAAGgAACCAAD1SggAICAAAAAxCIQqBSAIIAAAAgAAAICAFAAEgAEBIAAQAAQAAFgAAIAYPIzPDPgAAAAAAAAADAAAYAADAAAYAADAAAAA== > [2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] dihydrogen phosphate > [2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] dihydrogen phosphate > [2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] dihydrogen phosphate > [2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] dihydrogen phosphate > [2-oxidanylidene-2-[(8S,9S,10R,11S,13S,14S,17R)-6,10,13-trimethyl-11,17-bis(oxidanyl)-3-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]ethyl] dihydrogen phosphate > [2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-3-keto-6,10,13-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-keto-ethyl] dihydrogen phosphate > InChI=1S/C22H31O8P/c1-12-8-14-15-5-7-22(26,18(25)11-30-31(27,28)29)21(15,3)10-17(24)19(14)20(2)6-4-13(23)9-16(12)20/h4,6,9,12,14-15,17,19,24,26H,5,7-8,10-11H2,1-3H3,(H2,27,28,29)/t12?,14-,15-,17-,19+,20-,21-,22-/m0/s1 > PWTIEVRZANUUHG-UWKORSIYSA-N > 0.3 > 454.17565494 > C22H31O8P > 454.4 > CC1CC2C3CCC(C3(CC(C2C4(C1=CC(=O)C=C4)C)O)C)(C(=O)COP(=O)(O)O)O > CC1C[C@H]2[C@@H]3CC[C@@]([C@]3(C[C@@H]([C@@H]2[C@@]4(C1=CC(=O)C=C4)C)O)C)(C(=O)COP(=O)(O)O)O > 141 > 454.17565494 > 0 > 31 > 7 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 22 5 11 32 6 12 33 5 13 34 6 18 25 5 14 2 6 21 27 3 16 3 5 $$$$