Mrv1652309122212352D 32 35 0 0 1 0 999 V2000 8.3078 2.2724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6306 2.9025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8698 2.5780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6937 2.6212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1430 1.9294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7685 1.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2179 0.5024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0418 0.5456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4163 1.2807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9669 1.9726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3414 2.7077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8434 -0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2928 -0.9246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0196 -0.2760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5702 0.4159 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1957 -0.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8212 -1.0543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4606 0.0553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9308 -0.6937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7463 0.3727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2970 1.0645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4731 1.0213 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5163 0.1974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6492 0.9780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0237 1.7132 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3982 2.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2221 2.4915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5965 3.2266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1472 3.9185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4204 3.2699 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9395 3.9110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7098 3.6155 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 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 5 10 1 0 0 0 0 10 11 1 0 0 0 0 7 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 1 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 15 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 1 0 0 0 22 24 1 0 0 0 0 25 24 1 1 0 0 0 22 25 1 0 0 0 0 25 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 30 3 1 1 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 2 32 1 0 0 0 0 M END > NP0327738 > NP-MRD > CC1=C2CC3=CC(=CC=C3O)C(=O)O[C@@H](CC[C@]3(C)O[C@H]3C\C=C(C)\[C@H]2CC1)C(C)(C)O > InChI=1S/C27H36O5/c1-16-7-11-24-27(5,32-24)13-12-23(26(3,4)30)31-25(29)18-8-10-22(28)19(14-18)15-21-17(2)6-9-20(16)21/h7-8,10,14,20,23-24,28,30H,6,9,11-13,15H2,1-5H3/b16-7+/t20-,23+,24+,27+/m1/s1 > XHVNCHKVWKNRKD-VWVBFNHJSA-N > C27H36O5 > 440.58 > 440.256274259 > 4 > 68 > 48.22337431389268 > 1 > 2 > 0 > 1 > (7R,8E,11S,13S,16S)-22-hydroxy-16-(2-hydroxypropan-2-yl)-4,8,13-trimethyl-12,17-dioxatetracyclo[17.3.1.0^{3,7}.0^{11,13}]tricosa-1(23),3,8,19,21-pentaen-18-one > 4.835741167666667 > 0 > 4 > 0 > 14.302045478360878 > 8.29732198556287 > -3.1040854957234236 > 79.29 > 126.38799999999998 > 1 > 1 > (7R,8E,11S,13S,16S)-22-hydroxy-16-(2-hydroxypropan-2-yl)-4,8,13-trimethyl-12,17-dioxatetracyclo[17.3.1.0^{3,7}.0^{11,13}]tricosa-1(23),3,8,19,21-pentaen-18-one > 0 > NP0327738 > (7r,8e,11s,13s,16s)-22-hydroxy-16-(2-hydroxypropan-2-yl)-4,8,13-trimethyl-12,17-dioxatetracyclo[17.3.1.0³,⁷.0¹¹,¹³]tricosa-1(23),3,8,19,21-pentaen-18-one $$$$