Mrv1652309042205262D 41 44 0 0 1 0 999 V2000 -1.6664 1.8808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9103 2.2109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9180 3.0469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3127 3.6342 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6278 4.3966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4457 4.5050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7608 5.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9484 3.8509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5454 3.6457 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8488 2.9147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2321 2.2651 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8705 1.6825 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6698 1.8870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6006 0.8947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0755 0.2201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7763 0.9060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5523 1.6997 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3003 1.6348 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5757 0.8572 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.9782 2.7635 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6926 2.3510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4071 2.7635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4071 3.5885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1216 2.3510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8361 2.7635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5505 2.3510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2650 2.7635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5505 1.5260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0343 3.6209 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7430 4.0431 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0358 3.2718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5535 4.1975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0924 3.5728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9028 3.7271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8208 2.7938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7318 4.8680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4405 5.2903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0117 5.2707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3030 4.8485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3142 4.0236 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6110 4.4549 0.0000 C 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 0 0 0 0 4 5 1 1 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 4 9 1 0 0 0 0 9 10 1 1 0 0 0 11 10 1 6 0 0 0 11 12 1 0 0 0 0 12 13 1 1 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 17 16 1 1 0 0 0 11 17 1 0 0 0 0 17 18 1 0 0 0 0 2 18 1 0 0 0 0 18 19 1 1 0 0 0 11 20 1 0 0 0 0 20 21 1 1 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 2 0 0 0 0 29 20 1 6 0 0 0 29 30 1 0 0 0 0 30 31 1 6 0 0 0 30 32 1 1 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 33 35 2 0 0 0 0 30 36 1 0 0 0 0 36 37 2 0 0 0 0 36 38 1 0 0 0 0 38 39 2 0 0 0 0 39 40 1 0 0 0 0 29 40 1 0 0 0 0 9 40 1 0 0 0 0 40 41 1 6 0 0 0 M END > NP0187310 > NP-MRD > C[C@H]1C(=O)O[C@H]2[C@@H](Cl)C(=C)C[C@@H](OC(C)=O)[C@@H]3O[C@]12[C@H](OC(=O)COC(C)=O)[C@@H]1[C@]3(C)C=CC(=O)[C@@]1(C)OC(C)=O > InChI=1S/C28H33ClO12/c1-12-10-17(37-15(4)31)22-26(6)9-8-18(33)27(7,40-16(5)32)21(26)24(38-19(34)11-36-14(3)30)28(41-22)13(2)25(35)39-23(28)20(12)29/h8-9,13,17,20-24H,1,10-11H2,2-7H3/t13-,17+,20-,21+,22-,23-,24+,26-,27+,28+/m0/s1 > CZLNABZAYLVAER-HLKAMHPOSA-N > C28H33ClO12 > 597.01 > 596.1660542 > 7 > 74 > 57.012928341771676 > 1 > 0 > 0 > 0 > (1S,2R,5R,6S,9R,10R,11S,15S,16S,17R)-9,15-bis(acetyloxy)-6-chloro-2,11,15-trimethyl-7-methylidene-3,14-dioxo-4,18-dioxatetracyclo[8.7.1.0^{1,5}.0^{11,16}]octadec-12-en-17-yl 2-(acetyloxy)acetate > 1.7329074849999997 > 1 > 4 > 0 > -4.244174603343265 > 157.8 > 137.15459999999996 > 9 > 0 > (1S,2R,5R,6S,9R,10R,11S,15S,16S,17R)-9,15-bis(acetyloxy)-6-chloro-2,11,15-trimethyl-7-methylidene-3,14-dioxo-4,18-dioxatetracyclo[8.7.1.0^{1,5}.0^{11,16}]octadec-12-en-17-yl (acetyloxy)acetate > 0 > NP0187310 > (1s,2r,5r,6s,9r,10r,11s,15s,16s,17r)-9,15-bis(acetyloxy)-6-chloro-2,11,15-trimethyl-7-methylidene-3,14-dioxo-4,18-dioxatetracyclo[8.7.1.0¹,⁵.0¹¹,¹⁶]octadec-12-en-17-yl 2-(acetyloxy)acetate $$$$