Mrv1533004241512472D 30 33 0 0 0 0 999 V2000 2.2089 -2.2790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8189 -1.5520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9943 -1.5262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5597 -2.2275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6043 -0.7992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0390 -0.0980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6490 0.6290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1756 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6102 -0.0465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4348 -0.0207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8694 -0.7219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6940 -0.6962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8248 0.7063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6494 0.7321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3902 1.4075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7802 2.1345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5656 1.3818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1310 2.0830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8636 -0.1238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4736 0.6032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2982 0.5775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1228 0.5517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5127 -0.1753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0781 -0.8765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6108 -1.5066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3745 -1.1947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0758 -1.6293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3140 -0.3719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9440 0.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2535 -0.8508 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 3 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 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 10 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 8 17 1 0 0 0 0 17 18 1 0 0 0 0 6 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 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 23 28 1 0 0 0 0 28 29 2 0 0 0 0 24 30 1 0 0 0 0 2 30 1 0 0 0 0 19 30 1 0 0 0 0 M END > NP0330159 > NP-MRD > CC1C(O)CC(OC2OC(CO)C(O)C(O)C2O)C2(C)CCC3C(OC(=O)C3=C)C12 > InChI=1S/C21H32O9/c1-8-10-4-5-21(3)13(6-11(23)9(2)14(21)18(10)30-19(8)27)29-20-17(26)16(25)15(24)12(7-22)28-20/h9-18,20,22-26H,1,4-7H2,2-3H3 > CEDACXINXNXTDF-UHFFFAOYSA-N > C21H32O9 > 428.478 > 428.20463261 > 8 > 62 > 44.695597604528224 > 1 > 5 > 0 > 0 > 8-hydroxy-5a,9-dimethyl-3-methylidene-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-dodecahydronaphtho[1,2-b]furan-2-one > -0.86 > -0.599630652666667 > -1.70 > 0 > 4 > 0 > 13.191653051531098 > 12.20957404726287 > -2.8601071438202537 > 145.91 > 101.82059999999998 > 3 > 1 > 8.64e+00 g/l > 8-hydroxy-5a,9-dimethyl-3-methylidene-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-octahydro-3aH-naphtho[1,2-b]furan-2-one > 0 > NP0330159 > 8-hydroxy-5a,9-dimethyl-3-methylidene-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-octahydro-3ah-naphtho[1,2-b]furan-2-one $$$$