Mrv1652304282211332D 28 30 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 1 0 0 0 0 0 0 0 0 0 2.3645 1.8414 0.0000 O 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 1 0 0 0 0 0 0 0 0 0 1.5395 -1.0164 0.0000 C 0 0 2 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 1.1270 -1.7309 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 2.3645 -2.4454 0.0000 O 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 0.3020 -0.3020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1105 0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3020 1.1270 0.0000 C 0 0 0 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 1.5395 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8390 0.0252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8678 -0.7993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8390 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.0164 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 4.3016 -0.7392 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 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 6 7 1 1 0 0 0 5 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 4 11 1 0 0 0 0 11 12 1 6 0 0 0 10 13 1 6 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 9 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 8 20 1 6 0 0 0 20 21 2 0 0 0 0 18 22 1 1 0 0 0 22 23 2 0 0 0 0 18 24 1 6 0 0 0 9 25 1 6 0 0 0 5 26 1 6 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 M END > NP0065332 > NP-MRD > CC(=O)O[C@H]1[C@@H](O)[C@H]2C(C)(C)CC[C@H](O)[C@]2(C)[C@H]2C(=O)C[C@@](C)(O[C@]12C)C=C > InChI=1S/C22H34O6/c1-8-20(5)11-13(24)16-21(6)14(25)9-10-19(3,4)17(21)15(26)18(27-12(2)23)22(16,7)28-20/h8,14-18,25-26H,1,9-11H2,2-7H3/t14-,15-,16+,17-,18-,20-,21+,22-/m0/s1 > SUZLHDUTVMZSEV-WESICCPUSA-N > C22H34O6 > 394.508 > 394.235538815 > 5 > 62 > 42.629037417825295 > 1 > 2 > 0 > 1 > (3R,4aS,5S,6S,6aS,10S,10aS,10bR)-3-ethenyl-6,10-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-dodecahydro-1H-naphtho[2,1-b]pyran-5-yl acetate > 2.22 > 1.9476332673333323 > -3.30 > 0 > 3 > 0 > 14.673204608036169 > 13.660031695462639 > -2.9442062051527094 > 93.06 > 103.2221 > 3 > 1 > 1.99e-01 g/l > 9-deoxyforskolin > 0 > NP0065332 > 9-Deoxyforskolin $$$$