Mrv1652309052219552D 32 35 0 0 1 0 999 V2000 -0.1138 -0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8985 -0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5116 0.1520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0700 -1.2070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4569 -1.7590 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0700 -2.3111 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8985 -3.1180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5116 -3.6701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3400 -4.4770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5554 -4.7320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9531 -5.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7816 -5.8360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3947 -6.3881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9970 -6.0910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2962 -3.4151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9093 -3.9672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4677 -2.6082 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1822 -2.1957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0107 -1.3887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1902 -1.3024 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7777 -0.5880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8546 -2.0561 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0280 -1.0916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8126 -1.3465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5271 -0.9340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2416 -1.3465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2416 -2.1715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5271 -2.5840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5271 -3.4090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8126 -2.1715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0280 -2.4265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2269 -3.2111 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 6 0 0 0 5 6 1 1 0 0 0 6 7 1 6 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 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 8 15 2 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 1 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 6 0 0 0 22 20 1 1 0 0 0 17 22 1 0 0 0 0 6 22 1 0 0 0 0 5 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 2 0 0 0 0 24 30 1 0 0 0 0 30 31 1 0 0 0 0 5 31 1 0 0 0 0 31 32 2 0 0 0 0 M END > NP0217538 > NP-MRD > CC(C)CC(=O)C1=C(C)[C@H]2CC[C@H](C)[C@H]2[C@@H](O1)[C@@]1(OC(C)=O)OC2=CC=CC(C)=C2C1=O > InChI=1S/C26H32O6/c1-13(2)12-19(28)23-16(5)18-11-10-15(4)21(18)25(30-23)26(31-17(6)27)24(29)22-14(3)8-7-9-20(22)32-26/h7-9,13,15,18,21,25H,10-12H2,1-6H3/t15-,18+,21+,25+,26-/m0/s1 > FUSPELHEBSYWMX-XAFCOPFISA-N > C26H32O6 > 440.536 > 440.21988875 > 5 > 64 > 47.47026956700269 > 1 > 0 > 0 > 1 > (2S)-2-[(1R,4aS,7S,7aR)-4,7-dimethyl-3-(3-methylbutanoyl)-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-1-yl]-4-methyl-3-oxo-2,3-dihydro-1-benzofuran-2-yl acetate > 5.501553443000001 > 1 > 4 > 0 > -4.718273847984941 > 78.9 > 120.07659999999998 > 6 > 0 > (2S)-2-[(1R,4aS,7S,7aR)-4,7-dimethyl-3-(3-methylbutanoyl)-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-1-yl]-4-methyl-3-oxo-1-benzofuran-2-yl acetate > 0 > NP0217538 > (2s)-2-[(1r,4as,7s,7ar)-4,7-dimethyl-3-(3-methylbutanoyl)-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-1-yl]-4-methyl-3-oxo-1-benzofuran-2-yl acetate $$$$