Mrv1652309092212592D 45 50 0 0 1 0 999 V2000 5.8786 -2.1501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3143 -1.5483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5110 -1.7360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2719 -2.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9467 -1.1341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1434 -1.3219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1858 -0.3445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6215 0.2573 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8182 0.0696 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4202 -0.6530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6099 -0.4978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5072 0.3208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8011 -0.1060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8301 0.7922 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0833 0.4415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0136 -0.3805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7331 -0.7312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6907 -0.8519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8998 1.6142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6466 1.9649 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6870 2.7889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9935 3.2359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2597 2.8588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0339 4.0599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4930 1.4610 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6193 2.2763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2964 1.6488 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4151 2.4652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1275 2.8814 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0616 3.7037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8970 2.5839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1442 1.7969 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9373 1.5696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9662 0.7451 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6503 0.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4255 0.5662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9335 -0.0838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4723 -0.7679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6792 -0.5406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1910 0.4628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9638 -0.3303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6830 1.1128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8606 1.0469 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3784 0.4046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2539 0.6714 0.0000 C 0 0 1 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 0 0 0 0 3 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 8 7 1 6 0 0 0 8 9 1 0 0 0 0 9 10 1 6 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 1 0 0 0 12 14 1 0 0 0 0 14 15 1 6 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 2 0 0 0 0 14 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 6 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 20 25 1 0 0 0 0 25 26 1 1 0 0 0 25 27 1 0 0 0 0 27 28 1 1 0 0 0 28 29 1 0 0 0 0 29 30 1 6 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 1 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 35 39 2 0 0 0 0 34 40 1 0 0 0 0 40 41 1 0 0 0 0 40 42 2 0 0 0 0 32 42 1 0 0 0 0 42 43 1 0 0 0 0 8 43 1 0 0 0 0 27 43 1 0 0 0 0 43 44 1 1 0 0 0 25 45 1 0 0 0 0 45 9 1 1 0 0 0 12 45 1 0 0 0 0 M END > NP0283650 > NP-MRD > C\C=C(/C)C(=O)O[C@@H]1[C@@H]2OC[C@@]3(C)[C@H]2[C@](C)([C@H](C[C@H]3OC(C)=O)OC(C)=O)[C@H]2C[C@H](O)O[C@H]3C[C@H](C(C)=C3[C@]12C)C1=COC=C1 > InChI=1S/C35H46O10/c1-9-17(2)32(39)45-31-29-30-33(6,16-41-29)25(42-19(4)36)14-26(43-20(5)37)34(30,7)24-13-27(38)44-23-12-22(21-10-11-40-15-21)18(3)28(23)35(24,31)8/h9-11,15,22-27,29-31,38H,12-14,16H2,1-8H3/b17-9+/t22-,23+,24-,25-,26+,27-,29-,30+,31-,33-,34+,35-/m1/s1 > JUKACULIBSHURC-NREROEQXSA-N > C35H46O10 > 626.743 > 626.309097681 > 6 > 91 > 65.82047105458628 > 1 > 1 > 0 > 0 > (1R,2R,4R,6S,8R,11R,12S,13R,16R,17R,19S,20R)-17,19-bis(acetyloxy)-8-(furan-3-yl)-4-hydroxy-1,9,11,16-tetramethyl-5,14-dioxapentacyclo[11.6.1.0^{2,11}.0^{6,10}.0^{16,20}]icos-9-en-12-yl (2E)-2-methylbut-2-enoate > 3.543710360333331 > 1 > 6 > 0 > 12.447704150946699 > -2.843936220073382 > 130.73000000000002 > 161.87269999999998 > 8 > 0 > (1R,2R,4R,6S,8R,11R,12S,13R,16R,17R,19S,20R)-17,19-bis(acetyloxy)-8-(furan-3-yl)-4-hydroxy-1,9,11,16-tetramethyl-5,14-dioxapentacyclo[11.6.1.0^{2,11}.0^{6,10}.0^{16,20}]icos-9-en-12-yl (2E)-2-methylbut-2-enoate > 0 > NP0283650 > (1r,2r,4r,6s,8r,11r,12s,13r,16r,17r,19s,20r)-17,19-bis(acetyloxy)-8-(furan-3-yl)-4-hydroxy-1,9,11,16-tetramethyl-5,14-dioxapentacyclo[11.6.1.0²,¹¹.0⁶,¹⁰.0¹⁶,²⁰]icos-9-en-12-yl (2e)-2-methylbut-2-enoate $$$$