Mrv1652309072206592D 35 37 0 0 1 0 999 V2000 -1.6417 -3.0411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5913 -3.8646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8270 -4.6710 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1312 -5.1143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6838 -3.8586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1570 -3.1828 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6267 -2.5508 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0964 -3.1828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0878 -2.1383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8023 -2.5508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5168 -2.1383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5168 -1.3133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2312 -2.5508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9457 -2.1383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9088 -1.7755 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3785 -1.1435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1518 -0.5116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0105 -0.6132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2535 -1.6738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7213 -1.6323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2516 -2.2643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9694 -3.0395 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7562 -2.7914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6452 -3.5127 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3410 -3.0694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3050 -2.2452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0728 -3.4504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7686 -3.0071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7885 -4.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5939 -4.5037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3153 -5.0010 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0905 -5.2831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2434 -5.8228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5028 -5.1442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3243 -5.9497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 1 0 0 0 3 5 1 0 0 0 0 6 5 1 1 0 0 0 6 7 1 0 0 0 0 7 8 1 1 0 0 0 7 9 1 6 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 7 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 6 22 1 0 0 0 0 22 23 1 1 0 0 0 22 24 1 0 0 0 0 2 24 1 0 0 0 0 24 25 1 1 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 24 29 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 31 32 1 6 0 0 0 31 33 1 1 0 0 0 31 34 1 0 0 0 0 3 34 1 0 0 0 0 34 35 2 0 0 0 0 M END > NP0244241 > NP-MRD > COC(=O)CC[C@@]1(C)[C@@H](CC[C@]2(C)[C@@H]1C[C@@]1(C)C(=C)[C@]2(C(=O)OC)C(=O)[C@](C)(O)C1=O)C(C)(C)O > InChI=1S/C27H40O8/c1-15-24(5)14-17-23(4,12-11-18(28)34-8)16(22(2,3)32)10-13-25(17,6)27(15,21(31)35-9)20(30)26(7,33)19(24)29/h16-17,32-33H,1,10-14H2,2-9H3/t16-,17+,23-,24-,25+,26+,27+/m0/s1 > JRXXIWDNTKRQEY-XEOWCUFHSA-N > C27H40O8 > 492.609 > 492.272318248 > 6 > 75 > 52.3186294955755 > 1 > 2 > 0 > 0 > methyl (1S,2R,5R,6R,7R,9S,11R)-11-hydroxy-5-(2-hydroxypropan-2-yl)-6-(3-methoxy-3-oxopropyl)-2,6,9,11-tetramethyl-13-methylidene-10,12-dioxotricyclo[7.3.1.0^{2,7}]tridecane-1-carboxylate > 3.2211206719999996 > 1 > 3 > 0 > 19.859924496046084 > 11.482276554654408 > -0.6730687020833176 > 127.20000000000002 > 127.84389999999993 > 7 > 1 > methyl (1S,2R,5R,6R,7R,9S,11R)-11-hydroxy-5-(2-hydroxypropan-2-yl)-6-(3-methoxy-3-oxopropyl)-2,6,9,11-tetramethyl-13-methylidene-10,12-dioxotricyclo[7.3.1.0^{2,7}]tridecane-1-carboxylate > 0 > NP0244241 > methyl (1s,2r,5r,6r,7r,9s,11r)-11-hydroxy-5-(2-hydroxypropan-2-yl)-6-(3-methoxy-3-oxopropyl)-2,6,9,11-tetramethyl-13-methylidene-10,12-dioxotricyclo[7.3.1.0²,⁷]tridecane-1-carboxylate $$$$