Mrv1652309022215042D 36 41 0 0 1 0 999 V2000 1.9639 -1.4939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5905 -0.9573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5247 -0.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8207 0.2952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2864 0.1818 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8231 -0.4448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3930 -1.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7097 -1.9105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6872 0.7489 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8625 0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8788 1.5514 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2796 2.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6695 1.7868 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1328 2.4134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0236 2.5319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 2.4253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9932 1.6143 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6972 1.1842 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4217 1.5788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1257 1.1487 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8502 1.5434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1052 0.3240 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8297 0.7186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8092 -0.1061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7887 -0.9309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0642 -1.3255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3602 -0.8954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6357 -1.2900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3807 -0.0707 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6562 -0.4653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6767 0.3595 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9522 -0.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0771 0.4172 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2574 -0.3878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2687 1.2197 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9239 0.7183 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 3 4 1 0 0 0 0 3 5 1 0 0 0 0 5 6 1 1 0 0 0 6 7 1 0 0 0 0 2 7 1 0 0 0 0 7 8 2 0 0 0 0 5 9 1 0 0 0 0 9 10 1 6 0 0 0 9 11 1 0 0 0 0 11 12 1 1 0 0 0 11 13 1 0 0 0 0 13 14 1 1 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 17 16 1 1 0 0 0 17 18 1 0 0 0 0 18 19 1 6 0 0 0 19 20 1 0 0 0 0 20 21 1 1 0 0 0 20 22 1 0 0 0 0 22 23 1 6 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 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 22 29 1 0 0 0 0 29 30 1 1 0 0 0 29 31 1 0 0 0 0 18 31 1 0 0 0 0 31 32 1 1 0 0 0 32 33 1 0 0 0 0 5 33 1 0 0 0 0 33 34 1 1 0 0 0 33 35 1 0 0 0 0 17 35 1 0 0 0 0 13 35 1 0 0 0 0 35 36 1 1 0 0 0 M END > NP0155929 > NP-MRD > C[C@@H]1[C@@H](O)[C@]2(OC(=O)C(C)=C2C)[C@@]2(O)C[C@H]3[C@@H](C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]34C)[C@@H]3CC[C@]1(O)[C@@]23C > InChI=1S/C28H38O8/c1-13-14(2)28(36-22(13)32)21(31)15(3)25(33)10-8-17-16-11-20(30)26(34)9-6-7-19(29)23(26,4)18(16)12-27(28,35)24(17,25)5/h6-7,15-18,20-21,30-31,33-35H,8-12H2,1-5H3/t15-,16+,17+,18+,20-,21-,23+,24+,25-,26+,27-,28+/m1/s1 > OSAOWATUTILJKL-OWGRDSFDSA-N > C28H38O8 > 502.604 > 502.256668184 > 7 > 74 > 52.04306211876099 > 1 > 5 > 0 > 0 > (1'S,2S,2'S,4'R,5'R,10'R,11'S,13'R,15'R,16'R,17'R,20'S)-4',5',13',15',17'-pentahydroxy-3,4,10',16',20'-pentamethyl-5H-spiro[furan-2,14'-pentacyclo[11.6.1.0^{2,11}.0^{5,10}.0^{17,20}]icosan]-7'-ene-5,9'-dione > 0.93 > 1.0285000776666657 > -2.89 > 0 > 6 > 0 > 13.209190615783449 > 12.702406365791152 > -3.230806364276969 > 144.52 > 129.68509999999998 > 0 > 0 > 6.49e-01 g/l > (1'S,2S,2'S,4'R,5'R,10'R,11'S,13'R,15'R,16'R,17'R,20'S)-4',5',13',15',17'-pentahydroxy-3,4,10',16',20'-pentamethylspiro[furan-2,14'-pentacyclo[11.6.1.0^{2,11}.0^{5,10}.0^{17,20}]icosan]-7'-ene-5,9'-dione > 0 > NP0155929 > (2ar,3r,4r,5s,5ar,6as,6br,10ar,11r,12as,12bs,12cs)-2a,4,5a,10a,11-pentahydroxy-3,3',4',6b,12c-pentamethyl-2,3,4,6,6a,10,11,12,12a,12b-decahydro-1h-spiro[cyclohexa[j]aceanthrylene-5,2'-furan]-5',7-dione $$$$