16396279 -OEChem-04242420362D 74 78 0 1 0 0 0 0 0999 V2000 8.5967 -1.6474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9389 -3.1958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8051 1.9152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2036 -2.6997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6169 3.5016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6364 -0.0307 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5967 -0.6474 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.5967 0.3526 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7306 -1.1474 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8646 -0.6474 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9546 -1.1542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5429 0.6574 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9466 -2.1958 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.7306 0.8526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8646 0.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5429 -0.9521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7467 -2.1889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1265 -0.1474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8487 -2.7166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0278 -0.5901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5967 1.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0112 -2.7455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8536 1.6079 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.0799 -1.1181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6198 -0.2119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0715 -2.2030 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.2672 2.4179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8564 3.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8069 2.9152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3017 0.9116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3182 1.0929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9834 2.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.2164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 -1.4532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6007 -0.2224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3826 0.7892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1292 1.3276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3321 1.3276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6526 0.9352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2540 0.2450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2919 -1.5190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0803 -1.2613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9647 -2.7693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3558 -2.0734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5874 -0.5621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5874 0.2674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4514 -3.1926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2496 -3.1895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4360 -0.1235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6379 -0.1081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2167 1.3526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5967 1.9726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9767 1.3526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6139 -3.2215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4121 -3.2184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2912 1.1687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8754 -0.5328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4682 -1.2195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0220 0.2599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1336 -1.9574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5364 -1.8899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3996 -3.5016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6472 2.4190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6678 -2.3876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6658 3.8159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9130 1.0146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3064 1.5316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7068 0.9899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3134 0.4729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5948 2.1381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9882 2.6551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1124 2.8261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3903 2.3288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8876 1.6067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 60 1 0 0 0 0 2 13 1 0 0 0 0 2 62 1 0 0 0 0 3 23 1 0 0 0 0 3 29 1 0 0 0 0 4 26 1 0 0 0 0 4 64 1 0 0 0 0 5 29 2 0 0 0 0 6 25 2 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 16 1 0 0 0 0 8 12 1 0 0 0 0 8 14 1 0 0 0 0 8 21 1 1 0 0 0 9 10 1 0 0 0 0 9 17 1 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 10 35 1 6 0 0 0 11 13 1 0 0 0 0 11 20 1 0 0 0 0 11 25 1 1 0 0 0 12 18 1 0 0 0 0 12 23 1 0 0 0 0 12 36 1 1 0 0 0 13 19 1 0 0 0 0 13 22 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 18 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 19 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 24 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 21 53 1 0 0 0 0 22 26 1 0 0 0 0 22 54 1 0 0 0 0 22 55 1 0 0 0 0 23 27 1 0 0 0 0 23 56 1 0 0 0 0 24 26 1 0 0 0 0 24 57 1 0 0 0 0 24 58 1 0 0 0 0 25 59 1 0 0 0 0 26 61 1 0 0 0 0 27 28 2 0 0 0 0 27 63 1 0 0 0 0 28 29 1 0 0 0 0 28 65 1 0 0 0 0 30 31 1 0 0 0 0 30 66 1 0 0 0 0 30 67 1 0 0 0 0 31 32 1 0 0 0 0 31 68 1 0 0 0 0 31 69 1 0 0 0 0 32 33 1 0 0 0 0 32 70 1 0 0 0 0 32 71 1 0 0 0 0 33 72 1 0 0 0 0 33 73 1 0 0 0 0 33 74 1 0 0 0 0 M END > 16396279 > 1 > 842 > 6 > 3 > 5 > AAADcfB6OAAAAAAAAAAAAAAAAAAAAYIAAAAwYMAAAAAAAGDAAAAAHgAACAAAD1ThgAYCCAIABgCoADDzDAAAAAAgAAAICAAgAEgAFAIAoQACUAAFgAAIIYPA4PwPgAAAAAAAAADAAAYQADAAAYAADAAAAA== > 2-[(9S,10R,13R,17R)-10-(butyliminomethyl)-3,5,14-trihydroxy-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one > 2-[(9S,10R,13R,17R)-10-(butyliminomethyl)-3,5,14-trihydroxy-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one > 2-[(9S,10R,13R,17R)-10-(butyliminomethyl)-3,5,14-trihydroxy-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one > 2-[(9S,10R,13R,17R)-10-(butyliminomethyl)-3,5,14-trihydroxy-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one > 2-[(9S,10R,13R,17R)-10-(butyliminomethyl)-13-methyl-3,5,14-tris(oxidanyl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one > 2-[(9S,10R,13R,17R)-10-(butyliminomethyl)-3,5,14-trihydroxy-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one > InChI=1S/C27H41NO5/c1-3-4-15-28-17-25-12-7-18(29)16-26(25,31)13-9-20-19(25)8-11-24(2)21(10-14-27(20,24)32)22-5-6-23(30)33-22/h5-6,17-22,29,31-32H,3-4,7-16H2,1-2H3/t18?,19-,20?,21-,22?,24+,25-,26?,27?/m0/s1 > GUUQBVHAKHDDDB-DLWSONRCSA-N > 2.6 > 459.29847341 > C27H41NO5 > 459.6 > CCCCN=CC12CCC(CC1(CCC3C2CCC4(C3(CCC4C5C=CC(=O)O5)O)C)O)O > CCCCN=C[C@]12CCC(CC1(CCC3[C@@H]2CC[C@]4(C3(CC[C@H]4C5C=CC(=O)O5)O)C)O)O > 99.4 > 459.29847341 > 0 > 33 > 4 > 5 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 7 1 3 10 35 6 11 25 5 12 36 5 13 2 3 23 27 3 26 4 3 8 21 5 9 17 3 $$$$