Mrv1652304292203002D 44 48 0 0 1 0 999 V2000 5.7137 3.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1496 2.4256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9741 2.4529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7609 1.6980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9363 1.6708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5005 2.3712 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8892 3.0989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6759 2.3440 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2872 1.6163 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7230 0.9159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5476 0.9431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4627 1.5891 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0268 2.2896 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4155 3.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2401 3.0445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2259 2.0916 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1668 1.2687 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9311 0.9582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4663 0.8329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4138 2.2364 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9453 2.8674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0607 1.5615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3827 2.4515 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9672 1.8692 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7637 2.0843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7552 1.0719 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3397 0.4897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9219 1.0742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7575 -0.0948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9242 -0.0926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7207 0.1225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3051 -0.4597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9326 0.9198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0413 0.8569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5947 3.2488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3912 3.4638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9757 2.8816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6032 4.2611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5202 2.9407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8307 3.7050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3240 4.3561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5068 4.2429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6345 5.1204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0646 3.0717 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 6 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 1 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 1 0 0 0 10 11 1 0 0 0 0 5 11 1 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 8 15 1 6 0 0 0 13 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 12 18 1 6 0 0 0 17 19 1 6 0 0 0 16 20 1 0 0 0 0 20 21 1 0 0 0 0 16 21 1 6 0 0 0 20 22 1 1 0 0 0 20 23 1 6 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 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 30 1 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 26 34 1 6 0 0 0 23 35 1 1 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 36 38 1 0 0 0 0 13 39 1 6 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 41 43 1 0 0 0 0 6 44 1 6 0 0 0 M END > NP0079942 > NP-MRD > C[C@@H]([C@H](C)C(C)(C)OC(C)=O)[C@@H](OC(C)=O)[C@]1(C)O[C@]11[C@@H](O)C[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12COC(C)=O > InChI=1S/C35H54O9/c1-19(20(2)31(6,7)43-23(5)38)30(42-22(4)37)33(9)35(44-33)29(40)17-28-26-11-10-24-16-25(39)12-14-32(24,8)27(26)13-15-34(28,35)18-41-21(3)36/h19-20,24,26-30,40H,10-18H2,1-9H3/t19-,20-,24-,26+,27-,28-,29-,30+,32-,33-,34+,35+/m0/s1 > XOJRUWKKDXDTAW-VZSSOFQGSA-N > C35H54O9 > 618.808 > 618.376783319 > 6 > 98 > 69.12799893875021 > 0 > 1 > 0 > 0 > (1R,2S,3S)-4-(acetyloxy)-1-[(1'S,2R,2'S,3S,7'S,10'R,11'S,13'S,15'S)-15'-[(acetyloxy)methyl]-13'-hydroxy-2',3-dimethyl-5'-oxospiro[oxirane-2,14'-tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecane]-3-yl]-2,3,4-trimethylpentyl acetate > 4.55 > 3.798655914 > -6.05 > 1 > 5 > 0 > 13.866248783480614 > -3.2947027008546286 > 128.73000000000002 > 160.93900000000002 > 11 > 0 > 5.50e-04 g/l > (1R,2S,3S)-4-(acetyloxy)-1-[(1'S,2R,2'S,3S,7'S,10'R,11'S,13'S,15'S)-15'-[(acetyloxy)methyl]-13'-hydroxy-2',3-dimethyl-5'-oxospiro[oxirane-2,14'-tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecane]-3-yl]-2,3,4-trimethylpentyl acetate > 0 > NP0079942 > (+)-Hippuristerone G $$$$