Mrv1652309072213472D 35 38 0 0 1 0 999 V2000 9.7381 0.8194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9145 0.8665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4618 0.1768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5435 1.6034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7198 1.6505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3488 2.3874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5252 2.4345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1542 3.1714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0725 1.7448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2489 1.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7962 1.1022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9726 1.1494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5199 0.4596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8909 -0.2772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7145 -0.3244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1672 0.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9909 0.3182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4382 -0.9670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6146 -0.9198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2436 -0.1829 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4477 0.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7537 -0.4116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0204 -0.0335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6736 -0.4795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0188 0.7906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7521 1.1687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6753 1.2366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6361 2.0606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0972 2.4387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1364 3.2628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8697 3.6409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5576 3.7088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4085 0.8585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1801 1.1504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6962 0.5068 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 2 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 7 9 2 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 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 11 16 1 0 0 0 0 16 17 1 0 0 0 0 14 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 1 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 2 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 29 30 2 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 27 33 2 0 0 0 0 21 33 1 0 0 0 0 33 34 1 0 0 0 0 35 34 1 1 0 0 0 13 35 1 0 0 0 0 20 35 1 0 0 0 0 M END > NP0249281 > NP-MRD > CC(C)=CCC\C(C)=C\CC1=CC2=C(OC[C@@H]3[C@H]2OC2=C(CC=C(C)C)C(O)=C(C)C=C32)C=C1O > InChI=1S/C31H38O4/c1-18(2)8-7-9-20(5)11-12-22-15-25-28(16-27(22)32)34-17-26-24-14-21(6)29(33)23(13-10-19(3)4)30(24)35-31(25)26/h8,10-11,14-16,26,31-33H,7,9,12-13,17H2,1-6H3/b20-11+/t26-,31-/m0/s1 > HIFJVFRJNUZYGI-NVKVKWIFSA-N > C31H38O4 > 474.641 > 474.277009704 > 4 > 73 > 56.18558828312378 > 1 > 2 > 0 > 0 > (1R,10R)-4-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-13-methyl-15-(3-methylbut-2-en-1-yl)-8,17-dioxatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-2(7),3,5,11,13,15-hexaene-5,14-diol > 7.993599003333333 > 1 > 4 > 0 > 9.800339053671019 > 9.08821149622257 > -4.587739917992832 > 58.92 > 145.9082 > 7 > 0 > (1R,10R)-4-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-13-methyl-15-(3-methylbut-2-en-1-yl)-8,17-dioxatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-2(7),3,5,11,13,15-hexaene-5,14-diol > 0 > NP0249281 > (1r,10r)-4-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-13-methyl-15-(3-methylbut-2-en-1-yl)-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2(7),3,5,11,13,15-hexaene-5,14-diol $$$$