Mrv1533004171515272D 43 48 0 0 0 0 999 V2000 6.6119 -4.2332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3201 -5.0048 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.5059 -5.1379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2140 -5.9095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9835 -4.4993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1693 -4.6323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6962 -3.9565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8728 -3.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3192 -4.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4522 -5.3309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7764 -5.8040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2235 -4.7670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1718 -5.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6182 -6.3462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6449 -6.4103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9359 -5.4236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5619 -3.1408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7447 -3.0280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0683 -2.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8390 -1.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0630 -1.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5218 -1.2340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1731 -1.7404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9853 -1.5952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2655 -0.8192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0777 -0.6740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6095 -1.3047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4216 -1.1595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9534 -1.7902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7655 -1.6450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6731 -2.5662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8610 -2.7114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3292 -2.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0489 -2.8566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5171 -2.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2368 -3.0018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4247 -3.1470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8928 -2.5163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5330 -3.2587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7337 -0.1885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0140 0.5874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4822 1.2181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8261 0.7326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 6 12 1 0 0 0 0 10 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 6 16 1 0 0 0 0 8 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 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 23 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 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 27 33 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 24 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 19 38 1 0 0 0 0 23 38 1 0 0 0 0 38 39 1 0 0 0 0 25 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 41 43 1 0 0 0 0 M END > NP0224254 > NP-MRD > CSC(=O)CC12OC(C)(C)C(C)(CC(O1)C(C)C1C(=O)CC3C4C(CC5=CC(=O)C=CC5(C)C4CCC13C)OC(C)=O)O2 > InChI=1S/C34H46O8S/c1-18(26-16-33(7)30(3,4)41-34(40-26,42-33)17-27(38)43-8)29-24(37)15-23-28-22(10-12-32(23,29)6)31(5)11-9-21(36)13-20(31)14-25(28)39-19(2)35/h9,11,13,18,22-23,25-26,28-29H,10,12,14-17H2,1-8H3 > NLNKSIZTCJYEJJ-UHFFFAOYSA-N > C34H46O8S > 614.79 > 614.291339615 > 7 > 89 > 67.4480871763873 > 0 > 0 > 0 > 0 > 2,15-dimethyl-5,13-dioxo-14-(1-{5,6,6-trimethyl-1-[2-(methylsulfanyl)-2-oxoethyl]-2,7,8-trioxabicyclo[3.2.1]octan-3-yl}ethyl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-3,6-dien-9-yl acetate > 4.30 > 5.076140961666667 > -5.85 > 1 > 6 > 0 > 19.688252792885123 > 16.684336860857325 > -4.030291297880668 > 105.20000000000002 > 164.4139 > 7 > 0 > 8.70e-04 g/l > 2,15-dimethyl-5,13-dioxo-14-(1-{5,6,6-trimethyl-1-[2-(methylsulfanyl)-2-oxoethyl]-2,7,8-trioxabicyclo[3.2.1]octan-3-yl}ethyl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-3,6-dien-9-yl acetate > 0 > NP0224254 > 9a,11a-dimethyl-2,7-dioxo-1-(1-{5,6,6-trimethyl-1-[2-(methylsulfanyl)-2-oxoethyl]-2,7,8-trioxabicyclo[3.2.1]octan-3-yl}ethyl)-1h,3h,3ah,3bh,4h,5h,9bh,10h,11h-cyclopenta[a]phenanthren-4-yl acetate $$$$