Mrv1533004241500532D 28 30 0 0 0 0 999 V2000 -2.1730 -2.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3480 -2.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9355 -3.4914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9355 -2.0625 0.0000 O 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 -0.6336 0.0000 O 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 2.3645 -0.6336 0.0000 O 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 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 -4.2059 0.0000 O 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 0.3020 -2.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2732 -3.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3977 -3.2142 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 -1.3480 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 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 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 11 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 9 21 1 0 0 0 0 21 22 1 0 0 0 0 5 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 15 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 M END > NP0225490 > NP-MRD > CC(=O)OC1CC(O)C2(C)C3C(O)CC(CC3=CC(O)C2C1(C)C)C(=C)CO > InChI=1S/C22H34O6/c1-11(10-23)13-6-14-8-16(26)20-21(3,4)18(28-12(2)24)9-17(27)22(20,5)19(14)15(25)7-13/h8,13,15-20,23,25-27H,1,6-7,9-10H2,2-5H3 > NHNPRMLPWLHVTB-UHFFFAOYSA-N > C22H34O6 > 394.508 > 394.235538815 > 5 > 62 > 43.582378800695984 > 1 > 4 > 0 > 1 > 4,5,10-trihydroxy-7-(3-hydroxyprop-1-en-2-yl)-1,1,4a-trimethyl-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydrophenanthren-2-yl acetate > 0.57 > -0.01687788866666637 > -2.53 > 0 > 3 > 0 > 14.654797981769963 > 14.155693838046727 > -1.945358769229352 > 107.22000000000001 > 105.36909999999999 > 4 > 1 > 1.17e+00 g/l > 4,5,10-trihydroxy-7-(3-hydroxyprop-1-en-2-yl)-1,1,4a-trimethyl-2,3,4,4b,5,6,7,8,10,10a-decahydrophenanthren-2-yl acetate > 0 > NP0225490 > 4,5,10-trihydroxy-7-(3-hydroxyprop-1-en-2-yl)-1,1,4a-trimethyl-2,3,4,4b,5,6,7,8,10,10a-decahydrophenanthren-2-yl acetate $$$$