Mrv1652309072217412D 42 46 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 1 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 1 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 4.7433 1.7369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5618 1.6336 0.0000 C 0 0 1 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 2 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 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 1 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 1 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 1 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 1 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 1 2 2 0 0 0 0 3 2 1 6 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 6 0 0 0 6 8 1 0 0 0 0 8 9 1 1 0 0 0 9 10 1 0 0 0 0 10 11 1 1 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 10 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 6 18 1 0 0 0 0 18 19 1 6 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 8 24 1 0 0 0 0 24 25 1 0 0 0 0 25 2 1 6 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 6 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 31 35 2 0 0 0 0 30 36 1 0 0 0 0 25 36 1 0 0 0 0 36 37 1 6 0 0 0 36 38 1 0 0 0 0 3 38 1 0 0 0 0 38 39 1 6 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 40 42 2 0 0 0 0 M END > NP0252237 > NP-MRD > COC(=O)C[C@H]1C(C)(C)[C@@H](C[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)OC(C)=O > InChI=1S/C31H38O11/c1-15-24-25(36)29(6)19(11-22(34)37-8)28(4,5)20(39-16(2)32)12-21(29)42-31(15)13-23(35)41-26(18-9-10-38-14-18)30(31,7)27(24)40-17(3)33/h9-10,14,19-21,24,26-27H,1,11-13H2,2-8H3/t19-,20+,21-,24-,26-,27-,29+,30+,31-/m0/s1 > QBSRTZKWHMBTEU-PIFFJMDHSA-N > C31H38O11 > 586.634 > 586.241412044 > 6 > 80 > 59.09774401161425 > 1 > 0 > 0 > 0 > methyl 2-[(1S,3S,5R,7S,8R,10R,11S,12S,13R)-5,11-bis(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 > 2.422157124 > 1 > 5 > 0 > 11.93037464928676 > -2.869594857174908 > 144.64000000000001 > 142.7124 > 8 > 0 > methyl [(1S,3S,5R,7S,8R,10R,11S,12S,13R)-5,11-bis(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 > NP0252237 > methyl 2-[(1s,3s,5r,7s,8r,10r,11s,12s,13s)-5,11-bis(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 $$$$