Mrv1652309082215122D 24 26 0 0 0 0 999 V2000 -1.3918 -4.1538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6165 -3.8716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4733 -3.0591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1053 -2.5288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 -2.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4452 -3.5894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1105 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 -1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 -1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9520 -1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 -1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6020 -1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0145 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8395 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 -2.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0770 -2.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4895 -2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6020 -2.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 -2.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 -3.4914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 -3.4914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 -2.7770 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 2 0 0 0 0 3 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 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 16 15 1 4 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 15 20 1 0 0 0 0 20 21 2 0 0 0 0 12 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 5 24 1 0 0 0 0 10 24 1 0 0 0 0 M END > NP0268178 > NP-MRD > COC(=O)C1(C)CCCC2(C)C1CCC1=CC(C=CC=O)=CC=C21 > InChI=1S/C21H26O3/c1-20-11-5-12-21(2,19(23)24-3)18(20)10-8-16-14-15(6-4-13-22)7-9-17(16)20/h4,6-7,9,13-14,18H,5,8,10-12H2,1-3H3 > CDFZXSDJSGQABC-UHFFFAOYSA-N > C21H26O3 > 326.436 > 326.188194697 > 2 > 50 > 37.68062858976961 > 1 > 0 > 0 > 1 > methyl 1,4a-dimethyl-7-(3-oxoprop-1-en-1-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylate > 4.653873825000002 > 0 > 3 > 0 > -4.434192096002872 > 43.370000000000005 > 96.0988 > 4 > 1 > methyl 1,4a-dimethyl-7-(3-oxoprop-1-en-1-yl)-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate > 0 > NP0268178 > methyl 1,4a-dimethyl-7-(3-oxoprop-1-en-1-yl)-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate $$$$