Mrv1652304282211492D 24 25 0 0 1 0 999 V2000 -0.7145 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7145 -1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0416 0.7284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8163 0.7284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6408 0.7572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0281 1.4857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8526 1.5144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2399 2.2429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8027 2.9425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5909 2.1853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9782 2.9137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.0000 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 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 6 0 0 0 1 7 1 0 0 0 0 6 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 5 11 1 0 0 0 0 9 12 1 6 0 0 0 8 13 1 6 0 0 0 8 14 1 1 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 16 20 1 0 0 0 0 20 21 1 0 0 0 0 5 22 1 1 0 0 0 4 23 1 6 0 0 0 1 24 1 6 0 0 0 M END > NP0065628 > NP-MRD > C[C@@H]1CC[C@]2(C)[C@H](C)C(=O)[C@H](O)C[C@@H]2[C@@]1(C)CC\C(CO)=C\CO > InChI=1S/C20H34O4/c1-13-5-8-20(4)14(2)18(24)16(23)11-17(20)19(13,3)9-6-15(12-22)7-10-21/h7,13-14,16-17,21-23H,5-6,8-12H2,1-4H3/b15-7-/t13-,14-,16-,17-,19+,20-/m1/s1 > HPEWMDSJFJEDHK-DFXVVPPVSA-N > C20H34O4 > 338.488 > 338.245709575 > 4 > 58 > 38.93567685533495 > 1 > 3 > 0 > 1 > (1S,3R,4aR,5S,6R,8aS)-3-hydroxy-5-[(3Z)-5-hydroxy-3-(hydroxymethyl)pent-3-en-1-yl]-1,5,6,8a-tetramethyl-decahydronaphthalen-2-one > 2.70 > 2.431868636666665 > -3.47 > 0 > 2 > 0 > 15.030663318644446 > 13.380499836603843 > -2.5275413287780237 > 77.76 > 96.21049999999998 > 5 > 1 > 1.16e-01 g/l > (1S,3R,4aR,5S,6R,8aS)-3-hydroxy-5-[(3Z)-5-hydroxy-3-(hydroxymethyl)pent-3-en-1-yl]-1,5,6,8a-tetramethyl-hexahydro-1H-naphthalen-2-one > 0 > NP0065628 > 2alpha,15,16-Trihydroxy-3-oxo-ent-cleroda-13Z-ene $$$$