Mrv1652309102216552D 26 28 0 0 1 0 999 V2000 4.0145 3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6020 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 2.5559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0145 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6020 1.1270 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 2.3645 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 -1.0164 0.0000 O 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 4.0145 -1.0164 0.0000 O 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 4.8395 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9520 -0.3020 0.0000 C 0 0 0 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 0.3020 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1105 0.4125 0.0000 C 0 0 0 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 -0.4733 1.4091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4452 1.9394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 1.1270 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5395 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 1.8414 0.0000 C 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 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 5 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 7 16 1 0 0 0 0 16 17 1 6 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 16 24 1 0 0 0 0 24 25 1 6 0 0 0 25 26 1 0 0 0 0 6 26 1 0 0 0 0 M END > NP0301769 > NP-MRD > CC(C)C1=C(O)C(=O)C2=C(CC[C@H]3C(C)(C)CCC[C@]23C)[C@H]1OC(C)=O > InChI=1S/C22H32O4/c1-12(2)16-18(24)19(25)17-14(20(16)26-13(3)23)8-9-15-21(4,5)10-7-11-22(15,17)6/h12,15,20,24H,7-11H2,1-6H3/t15-,20+,22-/m0/s1 > YGQBDNLXSFXWNB-GNSUPJDDSA-N > C22H32O4 > 360.494 > 360.23005951 > 3 > 58 > 41.16064932314727 > 1 > 1 > 0 > 1 > (1R,4bS,8aS)-3-hydroxy-4b,8,8-trimethyl-4-oxo-2-(propan-2-yl)-1,4,4b,5,6,7,8,8a,9,10-decahydrophenanthren-1-yl acetate > 4.257240543666667 > 0 > 3 > 0 > 14.79010008174986 > 9.33011279833046 > -3.641289416102965 > 63.60000000000001 > 102.38069999999998 > 3 > 1 > (1R,4bS,8aS)-3-hydroxy-2-isopropyl-4b,8,8-trimethyl-4-oxo-5,6,7,8a,9,10-hexahydro-1H-phenanthren-1-yl acetate > 0 > NP0301769 > (1r,4bs,8as)-3-hydroxy-2-isopropyl-4b,8,8-trimethyl-4-oxo-5,6,7,8a,9,10-hexahydro-1h-phenanthren-1-yl acetate $$$$