Mrv1652309062213092D 33 36 0 0 1 0 999 V2000 5.5389 3.0678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7363 2.8770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1697 3.4766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3671 3.2858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5002 2.0865 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0668 1.4868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8694 1.6776 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1055 2.4681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9081 2.6589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1442 3.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4747 2.0592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4360 1.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2155 0.2024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5690 -0.5430 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9693 -1.1095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2452 -0.7143 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5426 -1.4838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9750 -1.4938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4350 -0.8701 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7920 -0.2851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9697 -0.2185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7789 0.5841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0019 0.8614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4615 1.1051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0281 0.5054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6976 1.8956 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1310 2.4953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3284 2.3045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0923 1.5140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7618 2.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3063 0.0657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2388 0.8880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8644 1.4259 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 2 0 0 0 0 5 2 1 1 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 6 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 7 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 1 0 0 0 16 18 1 0 0 0 0 19 18 1 1 0 0 0 16 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 24 25 1 0 0 0 0 20 25 1 0 0 0 0 24 26 1 0 0 0 0 5 26 1 0 0 0 0 26 27 1 6 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 2 0 0 0 0 14 31 1 6 0 0 0 31 32 1 0 0 0 0 12 32 1 0 0 0 0 32 33 2 0 0 0 0 M END > NP0230639 > NP-MRD > CC(=O)O[C@H]1C[C@@H]([C@@H](OC(C)=O)C2=C(C)C=C(O2)[C@@H]2O[C@@]2(C)C[C@H]2OC(=O)C1=C2)C(=C)C=O > InChI=1S/C24H26O9/c1-11-6-19-22-24(5,33-22)9-15-7-17(23(28)31-15)18(29-13(3)26)8-16(12(2)10-25)21(20(11)32-19)30-14(4)27/h6-7,10,15-16,18,21-22H,2,8-9H2,1,3-5H3/t15-,16+,18-,21+,22-,24-/m0/s1 > OJDIVOGKMKPKSF-SQDRVSCESA-N > C24H26O9 > 458.463 > 458.157682417 > 5 > 59 > 45.187180653342814 > 1 > 0 > 0 > 1 > (2R,4S,6R,10S,12R,13R)-13-(acetyloxy)-4,15-dimethyl-8-oxo-12-(3-oxoprop-1-en-2-yl)-3,7,17-trioxatetracyclo[12.2.1.1^{6,9}.0^{2,4}]octadeca-1(16),9(18),14-trien-10-yl acetate > 1.5930981446666674 > 1 > 4 > 0 > 12.225208777174837 > -2.875503158290465 > 121.64000000000001 > 113.0809 > 6 > 1 > (2R,4S,6R,10S,12R,13R)-13-(acetyloxy)-4,15-dimethyl-8-oxo-12-(3-oxoprop-1-en-2-yl)-3,7,17-trioxatetracyclo[12.2.1.1^{6,9}.0^{2,4}]octadeca-1(16),9(18),14-trien-10-yl acetate > 0 > NP0230639 > (2r,4s,6r,10s,12r,13r)-13-(acetyloxy)-4,15-dimethyl-8-oxo-12-(3-oxoprop-1-en-2-yl)-3,7,17-trioxatetracyclo[12.2.1.1⁶,⁹.0²,⁴]octadeca-1(16),9(18),14-trien-10-yl acetate $$$$