Mrv0541 02241207552D 35 38 0 0 0 0 999 V2000 -0.7941 2.3162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2105 1.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3908 0.9372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3798 1.2331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4891 2.8887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5896 2.0781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3038 2.4910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9260 1.9597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6149 1.2028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7753 1.2744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1905 0.6908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4919 -0.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0790 -0.7830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5523 -1.4630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8604 0.4871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0278 0.4871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6190 -0.2201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0032 0.8766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2890 0.4637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3426 -0.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2670 -0.9138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0290 -1.7051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7747 -1.8951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2001 -2.2102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6694 -2.8887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3771 -2.2777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7216 0.4624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7216 -0.3689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4290 -0.7776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1351 -0.3702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1351 0.4459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4304 0.8725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4304 1.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8604 0.8642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8590 -0.7872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 11 1 0 0 0 0 3 19 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 16 1 0 0 0 0 10 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 13 21 1 0 0 0 0 14 24 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 18 19 1 0 0 0 0 18 27 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 27 28 1 0 0 0 0 27 32 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 32 1 0 0 0 0 31 34 1 0 0 0 0 32 33 1 0 0 0 0 M END > NP0268918 > NP-MRD > CC(C)C1=C2C3CC(OC(C)=O)C(C=O)=CC(OC4OCC(O)C(O)C4O)C3(C)CCC2(C)CC1 > InChI=1S/C27H40O8/c1-14(2)17-6-7-26(4)8-9-27(5)18(22(17)26)11-20(34-15(3)29)16(12-28)10-21(27)35-25-24(32)23(31)19(30)13-33-25/h10,12,14,18-21,23-25,30-32H,6-9,11,13H2,1-5H3 > SEBFACPAABUJNW-UHFFFAOYSA-N > C27H40O8 > 492.6017 > 492.272318256 > 7 > 53.141495564537735 > 1 > 3 > 0 > 0 > 8-formyl-3a,5a-dimethyl-1-(propan-2-yl)-6-[(3,4,5-trihydroxyoxan-2-yl)oxy]-2H,3H,3aH,4H,5H,5aH,6H,9H,10H,10aH-cyclohepta[e]inden-9-yl acetate > 1.75 > 1.7452010159999989 > -3.55 > 1 > 4 > 0 > 13.40306463554909 > 12.245759001804078 > -3.526580879352097 > 122.52000000000001 > 128.5015 > 6 > 1 > 1.40e-01 g/l > 8-formyl-1-isopropyl-3a,5a-dimethyl-6-[(3,4,5-trihydroxyoxan-2-yl)oxy]-2H,3H,4H,5H,6H,9H,10H,10aH-cyclohepta[e]inden-9-yl acetate > 0 > NP0268918 > 8-formyl-1-isopropyl-3a,5a-dimethyl-6-[(3,4,5-trihydroxyoxan-2-yl)oxy]-2h,3h,4h,5h,6h,9h,10h,10ah-cyclohepta[e]inden-9-yl acetate $$$$