Mrv1533004161504592D 41 44 0 0 0 0 999 V2000 2.6419 2.3180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9588 1.5562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7894 1.4798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1332 0.7251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9548 0.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4306 1.3240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2522 1.2489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0849 2.0730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6590 0.0462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0079 -0.7014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8298 -0.7730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3028 -0.0971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1786 -1.5206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8281 0.1194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4233 -0.4519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2261 -1.2530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8213 -1.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8813 -2.6471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6136 -1.5945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4117 -0.6435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8164 -1.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 -2.0724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5711 -2.0633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8007 -2.7913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6256 -2.8004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0302 -3.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6099 -4.2293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7850 -4.2202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3803 -3.5012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5574 -0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1160 -1.3012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2917 -1.2675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1497 -1.9644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0912 -0.5367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1508 0.1622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8101 0.5007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4154 0.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7079 1.4538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9575 1.0058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4557 1.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1375 0.9156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 4 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 9 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 14 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 24 29 1 0 0 0 0 20 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 30 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 2 37 1 0 0 0 0 14 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 35 39 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 M END > NP0240050 > NP-MRD > CC1CC(OC(C)=O)C(OC(C)=O)C2(COC(C)=O)C(OC(=O)C3=CC=CC=C3)C(OC(C)=O)C3CC12OC3(C)C > InChI=1S/C30H38O11/c1-16-13-23(37-18(3)32)25(39-20(5)34)29(15-36-17(2)31)26(40-27(35)21-11-9-8-10-12-21)24(38-19(4)33)22-14-30(16,29)41-28(22,6)7/h8-12,16,22-26H,13-15H2,1-7H3 > WNVNFNRMEDUIMJ-UHFFFAOYSA-N > C30H38O11 > 574.623 > 574.241412044 > 6 > 79 > 57.96035644956659 > 0 > 0 > 0 > 0 > 4,5,8-tris(acetyloxy)-6-[(acetyloxy)methyl]-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate > 3.40 > 2.3688889786666656 > -4.92 > 1 > 4 > 0 > -4.212773144805599 > 140.73000000000002 > 140.38290000000003 > 12 > 0 > 6.99e-03 g/l > 4,5,8-tris(acetyloxy)-6-[(acetyloxy)methyl]-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate > 0 > NP0240050 > 4,5,8-tris(acetyloxy)-6-[(acetyloxy)methyl]-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate $$$$