Mrv1533004201501082D 43 49 0 0 0 0 999 V2000 0.8754 -3.3854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6238 -2.5362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9484 -1.5670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3871 -0.8573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7482 -0.0814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0916 0.2477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9512 0.1376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4511 0.7939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9801 0.7437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5529 1.5146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7844 0.9753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3106 0.3360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5537 1.2303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8177 2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1015 -0.5249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8839 -0.0973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6107 0.4679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4310 -0.2387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2775 -0.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7071 -1.0844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5551 -1.3908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9714 -2.1358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0889 -1.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3020 -2.5221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2746 -1.4672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2606 -2.3606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3570 -0.6352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0011 0.1063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5165 0.9303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2292 1.4338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1539 2.2553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9783 1.0882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6522 1.5642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4013 1.2187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4766 0.3972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8028 -0.0789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0537 0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3673 -1.7009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3586 -1.3613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5603 -1.9232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3421 -2.0354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4484 -0.4576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7907 -1.5023 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 5 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 12 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 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 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 16 27 1 0 0 0 0 27 28 1 0 0 0 0 18 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 32 37 1 0 0 0 0 25 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 39 42 1 0 0 0 0 5 42 1 0 0 0 0 15 42 1 0 0 0 0 38 43 1 0 0 0 0 3 43 1 0 0 0 0 15 43 1 0 0 0 0 M END > NP0137199 > NP-MRD > CCN1CC2(COC)C3C(OC)C4C1C3(C1CC3(O)C(OC(=O)C5=CC=CC=C5)C1C4(O)C(O)C3OC)C(CC2O)OC > InChI=1S/C32H45NO10/c1-6-33-14-29(15-39-2)18(34)12-19(40-3)31-17-13-30(37)26(43-28(36)16-10-8-7-9-11-16)20(17)32(38,25(35)27(30)42-5)21(24(31)33)22(41-4)23(29)31/h7-11,17-27,34-35,37-38H,6,12-15H2,1-5H3 > DHJXZSFKLJCHLH-UHFFFAOYSA-N > C32H45NO10 > 603.709 > 603.304346653 > 10 > 88 > 63.63421312435304 > 1 > 4 > 0 > 0 > 11-ethyl-5,7,8,14-tetrahydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl benzoate > 1.09 > -0.9843457973333329 > -2.75 > 1 > 7 > 1 > 13.088577402824491 > 12.45132070342746 > 9.450401284329258 > 147.38000000000002 > 152.65319999999997 > 9 > 0 > 1.06e+00 g/l > 11-ethyl-5,7,8,14-tetrahydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl benzoate > 0 > NP0137199 > Benzoylaconine $$$$