Mrv1652309032210472D 26 28 0 0 1 0 999 V2000 5.2520 -0.3020 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 6.0770 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0145 0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6020 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 1.1270 0.0000 C 0 0 2 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 2.3645 0.4125 0.0000 C 0 0 2 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 3.6020 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 -1.0164 0.0000 C 0 0 0 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 1.5395 -1.0164 0.0000 C 0 0 1 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 1.1270 -0.3020 0.0000 C 0 0 2 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 0.4452 -1.1144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4733 -0.5841 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 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 O 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 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0382 1.9475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 5 2 1 1 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 1 0 0 0 9 7 1 6 0 0 0 9 10 1 0 0 0 0 10 11 1 1 0 0 0 5 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 1 0 0 0 16 14 1 6 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 6 0 0 0 22 24 1 0 0 0 0 9 24 1 0 0 0 0 16 24 1 0 0 0 0 24 25 1 6 0 0 0 25 26 2 0 0 0 0 M END > NP0172019 > NP-MRD > CC1(C)CC[C@H](O)[C@@]2(C=O)[C@@H]3[C@@H](O)C[C@H](C[C@H]3C(=O)[C@@H](O)[C@H]12)C(=C)C=O > InChI=1S/C20H28O6/c1-10(8-21)11-6-12-15(13(23)7-11)20(9-22)14(24)4-5-19(2,3)18(20)17(26)16(12)25/h8-9,11-15,17-18,23-24,26H,1,4-7H2,2-3H3/t11-,12+,13-,14-,15-,17+,18+,20-/m0/s1 > BBLXJVHZXQWCBK-UIVQTMAGSA-N > C20H28O6 > 364.438 > 364.188588622 > 6 > 54 > 38.54577121420867 > 1 > 3 > 0 > 1 > (4S,4aR,4bR,5S,7S,8aR,10S,10aR)-4,5,10-trihydroxy-1,1-dimethyl-9-oxo-7-(3-oxoprop-1-en-2-yl)-tetradecahydrophenanthrene-4a-carbaldehyde > 0.68 > 0.03459970833333332 > -2.19 > 0 > 3 > 0 > 14.285528795873564 > 13.047136124071077 > -2.857250940930573 > 111.9 > 94.34859999999999 > 3 > 1 > 2.33e+00 g/l > (4S,4aR,4bR,5S,7S,8aR,10S,10aR)-4,5,10-trihydroxy-1,1-dimethyl-9-oxo-7-(3-oxoprop-1-en-2-yl)-decahydro-2H-phenanthrene-4a-carbaldehyde > 0 > NP0172019 > (4s,4ar,4br,5s,7s,8ar,10s,10ar)-4,5,10-trihydroxy-1,1-dimethyl-9-oxo-7-(3-oxoprop-1-en-2-yl)-decahydro-2h-phenanthrene-4a-carbaldehyde $$$$