23844059 CDK 1116211528 37 40 0 0 0 0 0 0 0 0999 V2000 6.5319 -1.8472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3530 0.5821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0959 -0.9898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2742 2.2367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0930 -3.5543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0826 -2.7153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5032 2.9172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5319 -0.1972 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5319 -1.0222 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3126 0.0542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1030 -1.0222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3522 -1.4403 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8174 0.2153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8174 -1.4347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3126 -1.2736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7940 -0.6097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1030 -0.1972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3456 -2.2996 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5688 0.8384 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5319 0.6278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5876 -0.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8307 -2.2939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5738 -2.7532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3586 -0.6154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0898 -2.7293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8056 -1.4105 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8251 1.6226 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7986 -2.3056 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7846 1.0947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6324 1.7927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8887 2.5769 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6960 2.7470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3377 3.1909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5258 3.5543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8661 1.9397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0053 0.1630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3482 -3.0009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9 1 1 6 0 0 0 19 2 1 1 0 0 0 26 3 1 1 0 0 0 27 4 1 6 0 0 0 5 25 2 0 0 0 0 28 6 1 1 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 8 20 1 1 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 10 16 1 0 0 0 0 10 19 1 0 0 0 0 10 36 1 6 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 11 17 1 0 0 0 0 12 18 1 0 0 0 0 12 21 1 0 0 0 0 12 24 1 1 0 0 0 13 17 1 0 0 0 0 14 22 2 0 0 0 0 15 16 1 0 0 0 0 18 23 1 0 0 0 0 18 25 1 0 0 0 0 18 37 1 1 0 0 0 19 27 1 0 0 0 0 19 29 1 0 0 0 0 21 26 1 0 0 0 0 22 25 1 0 0 0 0 23 28 1 0 0 0 0 26 28 1 0 0 0 0 27 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 1 0 0 0 32 34 1 0 0 0 0 32 35 1 0 0 0 0 M END > CHEBI:184000 > (2s,3r,5r,10r,13r,14s,17s)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2r,3r,5r)-2,3,6-trihydroxy-5,6-dimethylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-6-one > 2 > (2S,3R,5R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2R,3R,5R)-2,3,6-trihydroxy-5,6-dimethylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one > C28H46O7 > 494.669 > 494.32435 > 0 > O[C@]12[C@@]([C@](CC1)([C@@](O)([C@H](O)C[C@H](C(O)(C)C)C)C)[H])(CCC3[C@@]4([C@@](C[C@@H](O)[C@@H](O)C4)(C(=O)C=C23)[H])C)C > InChI=1S/C28H46O7/c1-15(24(2,3)33)11-23(32)27(6,34)22-8-10-28(35)17-12-19(29)18-13-20(30)21(31)14-25(18,4)16(17)7-9-26(22,28)5/h12,15-16,18,20-23,30-35H,7-11,13-14H2,1-6H3/t15-,16?,18+,20-,21+,22+,23-,25-,26-,27-,28-/m1/s1 > IJRBORPEVKCEQD-WJUVRXFPSA-N $$$$