Mrv1652309052215542D 46 50 0 0 1 0 999 V2000 3.8134 0.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0467 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2182 -0.5794 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1049 -0.4175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5686 -1.0998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5643 0.3193 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9185 -0.4258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2446 1.0798 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4138 1.3181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6674 0.7879 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3245 1.5886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5022 1.7749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2519 2.5611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9443 1.1535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1966 0.3545 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6490 -0.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8264 -1.0683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1150 -1.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5021 -0.9385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1721 -0.1824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0203 0.1991 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4865 -0.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3175 -0.6153 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8581 -1.3006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2219 -2.0411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0451 -2.0962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7626 -2.7263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7433 1.7369 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4236 2.4975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6051 2.6008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1063 1.9437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2854 3.3614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5618 1.6336 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0606 2.2907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7409 3.0512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9224 3.1546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2397 3.7084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8816 0.8730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5750 1.3200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4421 0.2677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3828 0.2159 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7025 -0.5446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5210 -0.6480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0198 0.0091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8407 -1.4085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6592 -1.5119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 3 2 1 1 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 1 0 0 0 6 8 1 0 0 0 0 8 9 1 6 0 0 0 9 10 1 0 0 0 0 10 2 1 1 0 0 0 10 11 1 0 0 0 0 11 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 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 16 20 2 0 0 0 0 15 21 1 0 0 0 0 10 21 1 0 0 0 0 21 22 1 1 0 0 0 21 23 1 0 0 0 0 3 23 1 0 0 0 0 23 24 1 1 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 2 0 0 0 0 8 28 1 0 0 0 0 28 29 1 6 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 32 2 0 0 0 0 28 33 1 0 0 0 0 33 34 1 6 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 35 37 2 0 0 0 0 33 38 1 0 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 38 41 1 0 0 0 0 6 41 1 0 0 0 0 41 42 1 1 0 0 0 42 43 1 0 0 0 0 43 44 2 0 0 0 0 43 45 1 0 0 0 0 45 46 1 0 0 0 0 M END > NP0214573 > NP-MRD > COC(=O)C[C@@H]1C(C)(C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2O[C@@]34CC(=O)O[C@H](C5=COC=C5)[C@@]3(C)[C@H](OC(C)=O)[C@H](C4=C)C(=O)[C@@]12C > InChI=1S/C33H40O13/c1-15-23-25(39)31(7)20(12-21(37)40-9)30(5,6)28(44-18(4)36)24(42-16(2)34)29(31)46-33(15)13-22(38)45-26(19-10-11-41-14-19)32(33,8)27(23)43-17(3)35/h10-11,14,20,23-24,26-29H,1,12-13H2,2-9H3/t20-,23-,24-,26-,27-,28+,29-,31-,32+,33-/m1/s1 > OPKAZEDWFLMYKP-DPQQITMTSA-N > C33H40O13 > 644.67 > 644.246891348 > 7 > 86 > 63.32412190767889 > 1 > 0 > 0 > 0 > methyl 2-[(1R,3S,4S,5R,7R,8S,10S,11R,12R,13S)-4,5,11-tris(acetyloxy)-13-(furan-3-yl)-6,6,8,12-tetramethyl-17-methylidene-9,15-dioxo-2,14-dioxatetracyclo[8.6.1.0^{1,12}.0^{3,8}]heptadecan-7-yl]acetate > 2.172987853333333 > 1 > 5 > 0 > 11.896931446386361 > -2.8703485167986935 > 170.94000000000003 > 152.96100000000007 > 10 > 0 > methyl [(1R,3S,4S,5R,7R,8S,10S,11R,12R,13S)-4,5,11-tris(acetyloxy)-13-(furan-3-yl)-6,6,8,12-tetramethyl-17-methylidene-9,15-dioxo-2,14-dioxatetracyclo[8.6.1.0^{1,12}.0^{3,8}]heptadecan-7-yl]acetate > 0 > NP0214573 > methyl 2-[(1r,3s,4s,5r,7r,8s,10s,11r,12r,13r)-4,5,11-tris(acetyloxy)-13-(furan-3-yl)-6,6,8,12-tetramethyl-17-methylidene-9,15-dioxo-2,14-dioxatetracyclo[8.6.1.0¹,¹².0³,⁸]heptadecan-7-yl]acetate $$$$