5284538 -OEChem-05142411322D 69 74 0 1 0 0 0 0 0999 V2000 9.0594 -0.1919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4073 -1.6529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7828 1.4965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.7263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3399 0.5819 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4739 0.0819 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6079 0.5819 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0770 -0.0852 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6079 1.5819 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6831 -0.8899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6718 -0.9930 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3399 1.5819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4739 2.0819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7140 2.1166 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7140 0.0472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2060 1.0819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8079 1.6027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8079 0.5611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8865 0.5019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2632 -1.1588 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7390 3.2013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5838 2.6099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8079 3.7582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 2.1380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7997 0.0944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2415 -0.9518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7624 -2.0253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 3.2230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7624 -2.0262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2617 -2.8909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2617 -2.8926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7609 -3.7573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7609 -3.7582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7869 -0.4186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6144 -0.2681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3440 1.1569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0666 -0.9560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6840 -1.5099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3271 -1.7699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9505 1.4742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5520 2.1645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8724 2.5569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0754 2.5569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3203 -0.4318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1185 -0.4225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5160 0.5450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7429 1.3919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8960 1.6188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1970 0.6672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5988 -0.0226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3473 3.0811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9615 3.7800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8896 2.0706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1231 2.9157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2780 3.1492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2125 4.2280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4142 4.2372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3284 1.8259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5470 -0.4718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3659 -0.1583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0523 0.6606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3699 -1.5583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8480 -0.8234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1131 -0.3452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0729 -1.4895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6417 -2.8903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8817 -2.8931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4504 -4.2940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0704 -4.2954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 20 1 0 0 0 0 2 11 1 0 0 0 0 2 20 1 0 0 0 0 3 19 2 0 0 0 0 4 28 2 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 12 1 0 0 0 0 5 16 1 1 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 6 34 1 6 0 0 0 7 9 1 0 0 0 0 7 15 1 0 0 0 0 7 35 1 1 0 0 0 8 11 1 0 0 0 0 8 19 1 1 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 9 36 1 6 0 0 0 10 11 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 39 1 1 0 0 0 12 13 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 17 1 0 0 0 0 14 21 1 0 0 0 0 14 22 1 1 0 0 0 15 18 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 17 18 1 0 0 0 0 17 24 2 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 19 25 1 0 0 0 0 20 26 1 1 0 0 0 20 27 1 0 0 0 0 21 23 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 22 55 1 0 0 0 0 23 28 1 0 0 0 0 23 56 1 0 0 0 0 23 57 1 0 0 0 0 24 28 1 0 0 0 0 24 58 1 0 0 0 0 25 59 1 0 0 0 0 25 60 1 0 0 0 0 25 61 1 0 0 0 0 26 62 1 0 0 0 0 26 63 1 0 0 0 0 26 64 1 0 0 0 0 27 29 2 0 0 0 0 27 30 1 0 0 0 0 29 31 1 0 0 0 0 29 65 1 0 0 0 0 30 32 2 0 0 0 0 30 66 1 0 0 0 0 31 33 2 0 0 0 0 31 67 1 0 0 0 0 32 33 1 0 0 0 0 32 68 1 0 0 0 0 33 69 1 0 0 0 0 M END > 5284538 > 1 > 901 > 4 > 0 > 2 > AAADcfB4OAAAAAAAAAAAAAAAAAAAAaIAAAAwYMEAAAASAGDBAAAAGgAAAAAAD1SgmAIyCIAABACIAqBSAAICAAAgAAAIiAFACMgZJjaAMRyiMAAk4AEOqQeI6PyPgAAAAAAAAACAAAQAACAAAYAADCAAAA== > (1R,2S,4R,6R,8S,9S,12S,13R)-8-acetyl-6,9,13-trimethyl-6-phenyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-en-16-one > (1R,2S,4R,6R,8S,9S,12S,13R)-8-acetyl-6,9,13-trimethyl-6-phenyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]eicos-17-en-16-one > (1R,2S,4R,6R,8S,9S,12S,13R)-8-acetyl-6,9,13-trimethyl-6-phenyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-en-16-one > (1R,2S,4R,6R,8S,9S,12S,13R)-8-acetyl-6,9,13-trimethyl-6-phenyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-en-16-one > (1R,2S,4R,6R,8S,9S,12S,13R)-8-ethanoyl-6,9,13-trimethyl-6-phenyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-en-16-one > (1R,2S,4R,6R,8S,9S,12S,13R)-8-acetyl-6,9,13-trimethyl-6-phenyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]eicos-17-en-16-one > InChI=1S/C29H36O4/c1-18(30)29-25(32-28(4,33-29)19-8-6-5-7-9-19)17-24-22-11-10-20-16-21(31)12-14-26(20,2)23(22)13-15-27(24,29)3/h5-9,16,22-25H,10-15,17H2,1-4H3/t22-,23+,24+,25-,26+,27+,28-,29-/m1/s1 > AHBKIEXBQNRDNL-FVCOMRFXSA-N > 4.6 > 448.26135963 > C29H36O4 > 448.6 > CC(=O)C12C(CC3C1(CCC4C3CCC5=CC(=O)CCC45C)C)OC(O2)(C)C6=CC=CC=C6 > CC(=O)[C@@]12[C@@H](C[C@@H]3[C@@]1(CC[C@H]4[C@H]3CCC5=CC(=O)CC[C@]45C)C)O[C@@](O2)(C)C6=CC=CC=C6 > 52.6 > 448.26135963 > 0 > 33 > 8 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 39 5 14 22 5 20 26 5 27 29 8 27 30 8 29 31 8 30 32 8 31 33 8 32 33 8 5 16 5 6 34 6 7 35 5 8 19 5 9 36 6 $$$$