Mrv1533004151514292D 28 31 0 0 0 0 999 V2000 7.2678 1.0632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4428 1.0632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0303 0.3487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2053 0.3487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7928 1.0632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3803 0.3487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2053 1.7776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7928 2.4921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2053 3.2066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9678 2.4921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5553 3.2066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9678 3.9210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7928 3.9210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5553 4.6355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5553 1.7776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9678 1.0632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5553 0.3487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9678 -0.3658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7303 0.3487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3178 -0.3658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3178 1.0632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6033 0.6507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6033 1.4757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1908 2.1901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7303 1.7776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3178 2.4921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0303 1.7776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4428 2.4921 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 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 10 15 1 0 0 0 0 15 16 2 0 0 0 0 5 16 1 0 0 0 0 16 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 19 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 21 25 1 0 0 0 0 15 25 1 0 0 0 0 25 26 2 0 0 0 0 7 27 1 0 0 0 0 2 27 1 0 0 0 0 27 28 2 0 0 0 0 M END > NP0178401 > NP-MRD > CC1CC11C(O)C(=O)C2=C(C(OC(C)=O)C(O)C3C(=C)C(C)CCC23C)C1=O > InChI=1S/C22H28O6/c1-9-6-7-21(5)14(11(9)3)16(24)18(28-12(4)23)13-15(21)17(25)20(27)22(19(13)26)8-10(22)2/h9-10,14,16,18,20,24,27H,3,6-8H2,1-2,4-5H3 > LHJDUMDUHQWDQP-UHFFFAOYSA-N > C22H28O6 > 388.46 > 388.188588622 > 5 > 56 > 40.75825688747628 > 1 > 2 > 0 > 1 > 3',9'-dihydroxy-2,4'b,7'-trimethyl-8'-methylidene-1',4'-dioxo-3',4',4'b,5',6',7',8',8'a,9',10'-decahydro-1'H-spiro[cyclopropane-1,2'-phenanthrene]-10'-yl acetate > 1.97 > 1.8294464826666663 > -2.78 > 0 > 4 > 0 > 13.788287331963335 > 12.709517819553035 > -3.347120684024916 > 100.9 > 101.03119999999997 > 2 > 1 > 6.39e-01 g/l > 3',9'-dihydroxy-2,4'b,7'-trimethyl-8'-methylidene-1',4'-dioxo-5',6',7',8'a,9',10'-hexahydro-3'H-spiro[cyclopropane-1,2'-phenanthrene]-10'-yl acetate > 0 > NP0178401 > 3',9'-dihydroxy-2,4'b,7'-trimethyl-8'-methylidene-1',4'-dioxo-5',6',7',8'a,9',10'-hexahydro-3'h-spiro[cyclopropane-1,2'-phenanthren]-10'-yl acetate $$$$