Mrv1652309082208422D 39 44 0 0 1 0 999 V2000 1.7946 3.5307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9856 2.9321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7958 3.0880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0647 2.1275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6048 1.5039 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4149 1.6598 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6850 2.4393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1449 3.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3347 2.9071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4149 3.8425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9550 1.0361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7651 1.1921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4709 1.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4731 1.6156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3052 0.5684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1154 0.7243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0352 -0.2111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2251 -0.3671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6850 0.2566 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4149 -0.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8748 0.1007 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6048 -0.6789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7946 -0.8348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2546 -0.2111 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9845 -0.9907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4444 -0.3671 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1744 -1.1466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6463 -1.8233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1486 -2.4812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6310 -2.2112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6150 -1.3863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0957 0.2566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1744 1.0361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3657 1.6598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9845 1.1921 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7946 1.3480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5246 0.5684 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3347 0.7243 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2644 1.5463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 5 4 1 6 0 0 0 5 6 1 0 0 0 0 6 7 1 6 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 6 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 11 19 1 0 0 0 0 19 20 1 1 0 0 0 19 21 1 0 0 0 0 21 22 1 1 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 6 0 0 0 24 26 1 0 0 0 0 26 27 1 6 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 27 31 2 0 0 0 0 26 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 35 36 1 1 0 0 0 37 36 1 1 0 0 0 35 37 1 0 0 0 0 24 37 1 0 0 0 0 37 38 1 0 0 0 0 5 38 1 0 0 0 0 21 38 1 0 0 0 0 38 39 1 1 0 0 0 M END > NP0263509 > NP-MRD > CC(=O)O[C@H]1[C@@H](OC(C)=O)[C@]2(C)[C@H](CC[C@@]3(C)[C@@H](OC(=O)[C@H]4O[C@@]234)C2=COC=C2)[C@@]2(C)C=CC(=O)C(C)(C)C12 > InChI=1S/C30H36O9/c1-15(31)36-20-21-26(3,4)19(33)9-11-27(21,5)18-8-12-28(6)22(17-10-13-35-14-17)38-25(34)24-30(28,39-24)29(18,7)23(20)37-16(2)32/h9-11,13-14,18,20-24H,8,12H2,1-7H3/t18-,20-,21?,22+,23-,24-,27-,28+,29+,30-/m1/s1 > KSMGXOJIWMFMLJ-ICQOQYHMSA-N > C30H36O9 > 540.609 > 540.235932739 > 5 > 75 > 55.072695031280034 > 1 > 0 > 0 > 0 > (1S,2R,4S,7R,8S,11R,12R,18R,19S)-19-(acetyloxy)-7-(furan-3-yl)-1,8,12,16,16-pentamethyl-5,15-dioxo-3,6-dioxapentacyclo[9.8.0.0^{2,4}.0^{2,8}.0^{12,17}]nonadec-13-en-18-yl acetate > 3.7441598463333317 > 0 > 6 > 0 > -2.8699209828597487 > 121.64000000000001 > 135.429 > 5 > 0 > (1S,2R,4S,7R,8S,11R,12R,18R,19S)-19-(acetyloxy)-7-(furan-3-yl)-1,8,12,16,16-pentamethyl-5,15-dioxo-3,6-dioxapentacyclo[9.8.0.0^{2,4}.0^{2,8}.0^{12,17}]nonadec-13-en-18-yl acetate > 0 > NP0263509 > (1s,2r,4s,7s,8s,11r,12r,18r,19s)-19-(acetyloxy)-7-(furan-3-yl)-1,8,12,16,16-pentamethyl-5,15-dioxo-3,6-dioxapentacyclo[9.8.0.0²,⁴.0²,⁸.0¹²,¹⁷]nonadec-13-en-18-yl acetate $$$$