Mrv1533004181501182D 43 46 0 0 0 0 999 V2000 -5.3615 -6.9161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6471 -6.5036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9326 -6.9161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2181 -6.5036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5037 -6.9161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7892 -6.5036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0747 -6.9161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3602 -6.5036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 -6.9161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0687 -6.5036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0687 -5.6786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7832 -6.9161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4976 -6.5036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2121 -6.9161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2121 -7.7411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9266 -6.5036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8649 -7.3263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9266 -5.6786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5716 -5.1642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3759 -5.3478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8903 -4.7028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7061 -4.8258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7339 -6.0911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3759 -6.8344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2001 -6.7974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5716 -7.0180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4976 -7.8397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2562 -8.1639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4398 -8.9682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7990 -7.5426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6207 -7.6166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2121 -5.2661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4976 -4.8536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6852 -4.7104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7798 -4.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4976 -5.6786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6726 -5.6786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2601 -4.9642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4351 -4.9642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6726 -4.2497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4976 -4.2497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2601 -3.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6726 -2.8207 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 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 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 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 20 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 16 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 24 30 1 0 0 0 0 30 31 2 0 0 0 0 18 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 33 36 1 0 0 0 0 13 36 1 0 0 0 0 32 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 38 40 1 0 0 0 0 40 41 1 0 0 0 0 40 42 1 0 0 0 0 42 43 1 0 0 0 0 M END > NP0248437 > NP-MRD > CCCCCCCCCC(=O)OC1C(C)C2(O)C3C=C(C)C(=O)C3(O)CC(CO)=CC2C2C(C)(C)C12OC(=O)C(C)CC > InChI=1S/C35H54O8/c1-8-10-11-12-13-14-15-16-27(37)42-30-23(5)34(41)25(28-32(6,7)35(28,30)43-31(39)21(3)9-2)18-24(20-36)19-33(40)26(34)17-22(4)29(33)38/h17-18,21,23,25-26,28,30,36,40-41H,8-16,19-20H2,1-7H3 > MJYTZOPOHSKFOT-UHFFFAOYSA-N > C35H54O8 > 602.809 > 602.381868699 > 6 > 97 > 69.89840789243954 > 0 > 3 > 0 > 0 > 1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-13-[(2-methylbutanoyl)oxy]-5-oxotetracyclo[8.5.0.0²,⁶.0¹¹,¹³]pentadeca-3,8-dien-14-yl decanoate > 5.21 > 5.6019753686666665 > -5.50 > 1 > 4 > 0 > 13.933225769515516 > 12.570370247353186 > -2.7316135464903297 > 130.36 > 164.71670000000006 > 15 > 0 > 1.89e-03 g/l > 1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-13-[(2-methylbutanoyl)oxy]-5-oxotetracyclo[8.5.0.0²,⁶.0¹¹,¹³]pentadeca-3,8-dien-14-yl decanoate > 0 > NP0248437 > 1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-13-[(2-methylbutanoyl)oxy]-5-oxotetracyclo[8.5.0.0²,⁶.0¹¹,¹³]pentadeca-3,8-dien-14-yl decanoate $$$$