Mrv1533004151517122D 34 38 0 0 0 0 999 V2000 8.5026 -1.3540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9430 -0.6564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5591 0.0738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7348 0.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3509 0.8368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5266 0.8694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1427 1.5997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0861 0.1719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3915 -0.5945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7571 -1.1218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0595 -0.6814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9408 -1.4978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2628 0.1182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6721 0.6941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8780 0.4704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6746 -0.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2654 -0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6331 -1.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0196 -1.7192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1791 -1.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5714 -1.2482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7113 -1.5887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1485 -2.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1022 -2.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9630 -1.0209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1779 -1.2744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2355 -0.1309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0747 0.2529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8130 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0550 -0.3316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6690 -0.9445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7674 -0.6891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2079 0.0085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1513 -1.4193 0.0000 O 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 3 4 1 4 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 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 8 13 1 0 0 0 0 13 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 11 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 16 29 1 0 0 0 0 21 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 25 31 1 0 0 0 0 2 32 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 M END > NP0329889 > NP-MRD > CC(=CCCC(=C)C1CCC2(C)C1CCC1C2(C)CCC2C(C)(C)C3(O)CCC12CO3)C(O)=O > InChI=1S/C30H46O4/c1-19(8-7-9-20(2)25(31)32)21-12-14-27(5)22(21)10-11-24-28(27,6)15-13-23-26(3,4)30(33)17-16-29(23,24)18-34-30/h9,21-24,33H,1,7-8,10-18H2,2-6H3,(H,31,32) > AXOVXHLTUALGCW-UHFFFAOYSA-N > C30H46O4 > 470.694 > 470.339609961 > 4 > 80 > 55.5673933748417 > 1 > 2 > 0 > 0 > 6-{15-hydroxy-9,10,14,14-tetramethyl-16-oxapentacyclo[13.2.2.0¹,¹³.0²,¹⁰.0⁵,⁹]nonadecan-6-yl}-2-methylhepta-2,6-dienoic acid > 5.48 > 6.462503522999999 > -6.08 > 0 > 5 > -1 > 11.68501095726762 > 4.684013646515089 > -4.248776226243614 > 66.76 > 135.2983 > 5 > 0 > 3.94e-04 g/l > 6-{15-hydroxy-9,10,14,14-tetramethyl-16-oxapentacyclo[13.2.2.0¹,¹³.0²,¹⁰.0⁵,⁹]nonadecan-6-yl}-2-methylhepta-2,6-dienoic acid > 0 > NP0329889 > 6-{15-hydroxy-9,10,14,14-tetramethyl-16-oxapentacyclo[13.2.2.0¹,¹³.0²,¹⁰.0⁵,⁹]nonadecan-6-yl}-2-methylhepta-2,6-dienoic acid $$$$