Mrv1533004241512102D 29 33 0 0 0 0 999 V2000 4.5320 2.4531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9882 1.7656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8116 1.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6209 1.0269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0771 0.3395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9195 0.5206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4194 -0.1687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6885 -0.5070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0111 -0.0361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1393 -1.1509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5810 -0.3691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6741 -0.5945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9823 -0.0864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1667 -0.2763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9012 -1.0683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5252 -1.6310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8539 -2.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8493 -2.3897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3674 -1.4717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8897 -2.2456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6241 -3.0267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7674 -1.9533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3171 -2.5685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0465 -1.6767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3742 -0.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9650 -1.4451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0527 -2.2654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6794 -1.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4525 -1.2898 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 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 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 5 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 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 16 18 1 0 0 0 0 16 19 1 0 0 0 0 12 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 10 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 12 25 1 0 0 0 0 10 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 7 28 1 0 0 0 0 28 29 2 0 0 0 0 M END > NP0272360 > NP-MRD > CC(=O)OC1CC2C(O)C3(C1C14CCCC(C)(C)C1C(O)C3(O)OC4)C(=O)C2=C > InChI=1S/C22H30O7/c1-10-12-8-13(29-11(2)23)14-20-7-5-6-19(3,4)15(20)18(26)22(27,28-9-20)21(14,16(10)24)17(12)25/h12-15,17-18,25-27H,1,5-9H2,2-4H3 > PIEODUHIXJYOBG-UHFFFAOYSA-N > C22H30O7 > 406.475 > 406.199153306 > 6 > 59 > 41.773814783499645 > 1 > 3 > 0 > 1 > 9,10,18-trihydroxy-12,12-dimethyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecan-3-yl acetate > 0.94 > 0.9037798743333336 > -2.25 > 0 > 5 > 0 > 13.630606724765745 > 10.50907124286673 > -3.2235852497046436 > 113.29000000000002 > 101.10579999999997 > 2 > 1 > 2.31e+00 g/l > 9,10,18-trihydroxy-12,12-dimethyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecan-3-yl acetate > 0 > NP0272360 > 9,10,18-trihydroxy-12,12-dimethyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecan-3-yl acetate $$$$