Mrv1652309052200132D 32 36 0 0 1 0 999 V2000 -4.3971 -0.6299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5850 -0.4847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3047 0.2912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0532 -1.1154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2411 -0.9702 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7092 -1.6009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8971 -1.4557 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3653 -2.0864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4468 -1.9412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7271 -1.1653 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1953 -0.5346 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4756 0.2414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0562 0.8721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2877 0.3866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8195 -0.2441 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1794 0.4982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6441 -0.2709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1505 0.3804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9211 1.1729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6040 1.6359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6308 2.4604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2553 1.1295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9750 0.3536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8734 -1.0634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1906 -1.5264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5392 -1.0201 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3416 -1.8210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6168 -0.6798 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3365 0.0961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1486 -0.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9608 -0.1943 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4926 0.4364 0.0000 O 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 1 0 0 0 5 6 1 0 0 0 0 7 6 1 6 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 10 9 1 6 0 0 0 10 11 1 0 0 0 0 11 12 1 1 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 1 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 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 18 23 1 0 0 0 0 17 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 10 26 1 0 0 0 0 15 26 1 0 0 0 0 26 27 1 1 0 0 0 11 28 1 0 0 0 0 7 28 1 0 0 0 0 28 29 1 1 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 5 31 1 0 0 0 0 31 32 1 1 0 0 0 M END > NP0202904 > NP-MRD > CC(=O)O[C@@H]1C[C@H]2CC[C@@H]3[C@H](C(=O)C[C@]4(C)C(=CC[C@]34O)C3=CC(=O)OC3)[C@@]2(C)C[C@@H]1O > InChI=1S/C25H32O7/c1-13(26)32-20-9-15-4-5-17-22(23(15,2)10-18(20)27)19(28)11-24(3)16(6-7-25(17,24)30)14-8-21(29)31-12-14/h6,8,15,17-18,20,22,27,30H,4-5,7,9-12H2,1-3H3/t15-,17-,18+,20-,22-,23+,24-,25+/m1/s1 > XURSEJHINUAAFD-IXYLZVJVSA-N > C25H32O7 > 444.524 > 444.21480337 > 5 > 64 > 47.36839825475526 > 1 > 2 > 0 > 1 > (1S,2S,4S,5R,7R,10R,11S,15R)-4,11-dihydroxy-2,15-dimethyl-17-oxo-14-(5-oxo-2,5-dihydrofuran-3-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-13-en-5-yl acetate > 1.1047463656666663 > 0 > 5 > 0 > 13.769361351951659 > 7.360776100445607 > -3.1674359308254454 > 110.13000000000001 > 115.67089999999997 > 3 > 1 > (1S,2S,4S,5R,7R,10R,11S,15R)-4,11-dihydroxy-2,15-dimethyl-17-oxo-14-(5-oxo-2H-furan-3-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-13-en-5-yl acetate > 0 > NP0202904 > (3as,3br,5ar,7r,8s,9as,9bs,11ar)-3a,8-dihydroxy-9a,11a-dimethyl-10-oxo-1-(5-oxo-2h-furan-3-yl)-3h,3bh,4h,5h,5ah,6h,7h,8h,9h,9bh,11h-cyclopenta[a]phenanthren-7-yl acetate $$$$