Mrv1652304282211312D 29 32 0 0 1 0 999 V2000 3.6020 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6020 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 -0.3020 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3645 0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7770 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1270 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 -1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 -1.0164 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7770 -1.7309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 -2.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 -3.1599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 -2.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 -3.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 -1.7309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1105 -1.0164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1105 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 1.1270 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1270 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1105 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9310 1.9277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1025 2.7346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3881 3.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2250 2.5951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9520 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6308 -1.1265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3016 -0.7392 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 4 3 1 6 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 1 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 6 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 4 10 1 0 0 0 0 10 11 1 6 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 8 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 7 21 1 0 0 0 0 20 22 1 1 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 22 26 1 0 0 0 0 5 27 1 6 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 M END > NP0065278 > NP-MRD > CC(C)C(=O)O[C@@H]1C=C2[C@H](C[C@@H](OC2=O)C2=COC=C2)[C@@]2(C)CCCC(C)(C)[C@H]12 > InChI=1S/C24H32O5/c1-14(2)21(25)29-19-11-16-17(24(5)9-6-8-23(3,4)20(19)24)12-18(28-22(16)26)15-7-10-27-13-15/h7,10-11,13-14,17-20H,6,8-9,12H2,1-5H3/t17-,18+,19+,20-,24+/m0/s1 > YICWDSWOFGXBBN-YSKXDDPOSA-N > C24H32O5 > 400.515 > 400.22497413 > 2 > 61 > 44.59575204243541 > 1 > 0 > 0 > 1 > (2R,6R,6aS,10aR,10bR)-2-(furan-3-yl)-7,7,10a-trimethyl-4-oxo-1H,2H,4H,6H,6aH,7H,8H,9H,10H,10aH,10bH-naphtho[2,1-c]pyran-6-yl 2-methylpropanoate > 5.06 > 5.276096669333331 > -4.59 > 0 > 4 > 0 > -2.888568260873248 > 65.74000000000001 > 108.89129999999999 > 4 > 0 > 1.04e-02 g/l > (2R,6R,6aS,10aR,10bR)-2-(furan-3-yl)-7,7,10a-trimethyl-4-oxo-1H,2H,6H,6aH,8H,9H,10H,10bH-naphtho[2,1-c]pyran-6-yl 2-methylpropanoate > 0 > NP0065278 > 2-Methylpropanoyl gutespinolide $$$$