Mrv1652309052207012D 35 40 0 0 1 0 999 V2000 -0.8470 3.7763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7158 2.9618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3556 2.4409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1266 2.7345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2244 1.6264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4534 1.3328 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3099 0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1348 0.4653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4724 -0.3589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5196 0.1207 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4271 0.0486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7138 1.1247 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7674 0.5177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8571 0.7182 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6502 1.5483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4563 1.7241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2630 1.9144 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0394 2.6820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2734 1.9838 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8381 2.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6668 2.5120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0168 1.7610 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4894 2.4373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8388 1.6909 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3106 2.3677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0403 3.1472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6981 3.6451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3749 3.1734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1354 2.3839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1891 0.9439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7174 0.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0677 -0.4798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8954 0.3372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5451 1.0842 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0858 0.3989 0.0000 O 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 2 0 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 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 10 11 1 6 0 0 0 11 12 1 0 0 0 0 12 13 1 6 0 0 0 14 13 1 1 0 0 0 10 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 6 17 1 0 0 0 0 17 18 1 6 0 0 0 17 19 1 0 0 0 0 12 19 1 0 0 0 0 19 20 1 1 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 6 0 0 0 22 24 1 0 0 0 0 24 25 1 6 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 25 29 2 0 0 0 0 24 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 22 34 1 0 0 0 0 12 34 1 0 0 0 0 34 35 1 6 0 0 0 M END > NP0208138 > NP-MRD > COC(=O)C[C@@H]1C(C)(C)[C@H]2O[C@@]34C[C@@H]2C(=O)[C@]1(C)[C@H]3CC[C@@]1(C)[C@@H](OC(=O)C[C@@]41O)C1=COC=C1 > InChI=1S/C27H34O8/c1-23(2)17(10-18(28)32-5)25(4)16-6-8-24(3)21(14-7-9-33-13-14)34-19(29)12-27(24,31)26(16)11-15(20(25)30)22(23)35-26/h7,9,13,15-17,21-22,31H,6,8,10-12H2,1-5H3/t15-,16-,17-,21+,22+,24+,25-,26+,27+/m1/s1 > OQQDWKJSAQRSAX-XTTNDHMJSA-N > C27H34O8 > 486.561 > 486.225368055 > 5 > 69 > 69.40110943918641 > 1 > 1 > 0 > 0 > methyl 2-[(1S,2R,5S,6R,10S,11S,13S,14S,16R)-6-(furan-3-yl)-10-hydroxy-1,5,15,15-tetramethyl-8,17-dioxo-7,18-dioxapentacyclo[11.3.1.1^{11,14}.0^{2,11}.0^{5,10}]octadecan-16-yl]acetate > 2.719346747999999 > 0 > 6 > 0 > 16.40844881359057 > 12.979005734612244 > -2.868979132682375 > 112.27000000000002 > 121.24100000000001 > 4 > 1 > methyl [(1S,2R,5S,6R,10S,11S,13S,14S,16R)-6-(furan-3-yl)-10-hydroxy-1,5,15,15-tetramethyl-8,17-dioxo-7,18-dioxapentacyclo[11.3.1.1^{11,14}.0^{2,11}.0^{5,10}]octadecan-16-yl]acetate > 0 > NP0208138 > methyl 2-[(1s,2r,5s,6s,10s,11s,13s,14s,16r)-6-(furan-3-yl)-10-hydroxy-1,5,15,15-tetramethyl-8,17-dioxo-7,18-dioxapentacyclo[11.3.1.1¹¹,¹⁴.0²,¹¹.0⁵,¹⁰]octadecan-16-yl]acetate $$$$