Mrv1652306292223512D 38 43 0 0 1 0 999 V2000 4.3396 -1.2837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9645 -0.7450 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7434 -1.0168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8975 -1.8273 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6765 -2.0990 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4869 -1.9449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2151 -2.7239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6898 -1.1453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3078 -1.8621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2727 -2.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4268 -3.1764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2057 -3.4482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8019 -3.7151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8103 0.0655 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9992 0.8686 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6003 0.3035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2938 1.2964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6690 0.7577 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9882 -0.0031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4890 -0.6599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6706 -0.5560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1714 -1.2128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3513 0.2047 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8505 0.8616 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5313 1.6223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7128 1.7262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2137 1.0693 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5329 0.3086 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0337 -0.3482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2153 -0.2443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1040 0.5164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9224 0.6203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3952 1.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2438 1.6950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4705 1.9948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8521 -0.4521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3497 1.5184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6867 1.5825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 0 0 0 2 3 1 0 0 0 0 3 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 5 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 4 10 1 1 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 14 2 1 1 0 0 0 14 15 1 0 0 0 0 15 16 1 6 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 14 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 23 21 1 1 0 0 0 23 24 1 0 0 0 0 18 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 27 26 1 6 0 0 0 27 28 1 0 0 0 0 23 28 1 0 0 0 0 28 29 1 0 0 0 0 29 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 27 33 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 28 36 1 6 0 0 0 24 37 1 1 0 0 0 18 38 1 6 0 0 0 M END > NP0140772 > NP-MRD > C[C@H](C[C@H](OC(C)=O)[C@H]1OC1(C)C)[C@]12O[C@H]1C[C@@]1(C)C2=CC(=O)[C@H]2[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C > InChI=1S/C32H46O6/c1-17(14-20(36-18(2)33)26-28(5,6)38-26)32-22-15-19(34)25-29(7)12-11-23(35)27(3,4)21(29)10-13-30(25,8)31(22,9)16-24(32)37-32/h15,17,20-21,24-26H,10-14,16H2,1-9H3/t17-,20+,21+,24+,25+,26-,29+,30+,31+,32-/m1/s1 > UUJREHQYYSZHDT-URRJHNPRSA-N > C32H46O6 > 526.714 > 526.329439201 > NP0140772 > Alisol K 23-acetate $$$$