Mrv1533004231515392D 47 53 0 0 0 0 999 V2000 3.3418 -4.1522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6454 -3.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6853 -3.6499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6782 -2.6094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5582 -1.6588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1346 -2.3668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4267 -1.9432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8503 -1.2352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8631 -0.4103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5840 -0.0090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5968 0.8159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3177 1.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0256 0.7936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0127 -0.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7759 -0.3447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5048 0.1353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0067 -1.1367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7949 -1.3804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5602 -0.9826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8067 -2.2053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6766 -2.3103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0258 -2.4715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5314 -1.8110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7079 -1.8598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2802 -2.7460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2611 -3.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3203 -2.6197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1430 -3.9900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7627 -4.5346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6009 -5.3436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8194 -5.6080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1997 -5.0633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3615 -4.2544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1562 -1.2464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2919 -0.4326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7483 -1.0442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8252 -2.8949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8676 -3.8495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0444 -2.7166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7965 -3.0773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3305 2.0421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6226 2.4657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6355 3.2906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3563 3.6919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3695 4.5488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0642 3.2683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0513 2.4434 0.0000 C 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 2 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 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 12 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 15 17 1 0 0 0 0 17 18 2 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 20 22 1 0 0 0 0 22 23 1 0 0 0 0 17 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 28 33 1 0 0 0 0 24 34 1 0 0 0 0 5 34 1 0 0 0 0 34 35 1 0 0 0 0 10 35 1 0 0 0 0 14 35 1 0 0 0 0 35 36 1 0 0 0 0 23 37 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 37 40 1 0 0 0 0 12 41 1 0 0 0 0 41 42 2 0 0 0 0 42 43 1 0 0 0 0 43 44 2 0 0 0 0 44 45 1 0 0 0 0 44 46 1 0 0 0 0 46 47 2 0 0 0 0 41 47 1 0 0 0 0 M END > NP0327736 > NP-MRD > CC(=O)OC12COC1CC1OC(OC3C(O)C4=C(C)C(O)CC4(C(OC(=O)C4=CC=CC=C4)C2C13C)C(C)(C)O)C1=CC=C(O)C=C1 > InChI=1S/C36H42O11/c1-18-23(39)16-35(33(3,4)42)26(18)27(40)29-34(5)24(44-32(46-29)21-11-13-22(38)14-12-21)15-25-36(17-43-25,47-19(2)37)28(34)30(35)45-31(41)20-9-7-6-8-10-20/h6-14,23-25,27-30,32,38-40,42H,15-17H2,1-5H3 > AVBFIJHUOKVCCJ-UHFFFAOYSA-N > C36H42O11 > 650.721 > 650.272712172 > 9 > 89 > 66.67071593105284 > 1 > 4 > 0 > 0 > 2-(acetyloxy)-12,15-dihydroxy-9-(4-hydroxyphenyl)-17-(2-hydroxypropan-2-yl)-14,19-dimethyl-4,8,10-trioxapentacyclo[9.7.1.0²,⁵.0⁷,¹⁹.0¹³,¹⁷]nonadec-13-en-18-yl benzoate > 2.75 > 2.456731161666666 > -4.01 > 1 > 7 > 0 > 13.471383345770565 > 9.440876007656364 > -2.952400098485012 > 161.21 > 166.10479999999998 > 7 > 0 > 6.34e-02 g/l > 2-(acetyloxy)-12,15-dihydroxy-9-(4-hydroxyphenyl)-17-(2-hydroxypropan-2-yl)-14,19-dimethyl-4,8,10-trioxapentacyclo[9.7.1.0²,⁵.0⁷,¹⁹.0¹³,¹⁷]nonadec-13-en-18-yl benzoate > 0 > NP0327736 > 2-(acetyloxy)-12,15-dihydroxy-9-(4-hydroxyphenyl)-17-(2-hydroxypropan-2-yl)-14,19-dimethyl-4,8,10-trioxapentacyclo[9.7.1.0²,⁵.0⁷,¹⁹.0¹³,¹⁷]nonadec-13-en-18-yl benzoate $$$$