Mrv1533004171506132D 49 52 0 0 0 0 999 V2000 4.1089 -1.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9420 -1.1275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5582 -0.5790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3414 -0.8384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5083 -1.6463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2750 -1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9415 -2.3485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8921 -2.1949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6752 -2.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2915 -1.9058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1245 -1.0978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0746 -2.1652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6909 -1.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4740 -1.8761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6409 -2.6840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0247 -3.2325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2415 -2.9731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0590 -3.0028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4427 -3.5513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6596 -3.2919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8862 -3.5277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4927 -2.4840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8764 -3.0325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0434 -3.8404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4271 -4.3889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8265 -4.0998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7095 -2.2245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9927 -2.6330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9018 -3.4529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1462 -3.7842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4816 -3.2954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0553 -4.6041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7199 -5.0929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6290 -5.9129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8734 -6.2441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2088 -5.7554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2997 -4.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3828 -2.0774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8941 -2.7421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6707 -1.6609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7226 -1.3257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5426 -1.4166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2922 -0.6305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1589 -0.8681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9919 -0.0601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8421 -3.2622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0090 -4.0702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7922 -4.3296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3928 -4.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 2 1 4 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 12 17 1 0 0 0 0 8 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 22 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 32 37 1 0 0 0 0 28 38 1 0 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 38 41 1 0 0 0 0 41 42 1 0 0 0 0 27 42 1 0 0 0 0 42 43 1 0 0 0 0 42 44 1 0 0 0 0 2 44 1 0 0 0 0 44 45 2 0 0 0 0 18 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 2 0 0 0 0 47 49 1 0 0 0 0 M END > NP0158274 > NP-MRD > CC1C=CC(C)(C)C(OC(=O)C2=CC=CC=C2)C(CC(=C)C(OC(C)=O)C2C(OC(=O)C3=CC=CC=C3)C(C)(O)CC2(O)C1=O)OC(C)=O > InChI=1S/C38H44O11/c1-22-18-19-36(5,6)32(48-34(42)26-14-10-8-11-15-26)28(46-24(3)39)20-23(2)30(47-25(4)40)29-33(37(7,44)21-38(29,45)31(22)41)49-35(43)27-16-12-9-13-17-27/h8-19,22,28-30,32-33,44-45H,2,20-21H2,1,3-7H3 > CEHAXCSEPSBEQB-UHFFFAOYSA-N > C38H44O11 > 676.759 > 676.288362237 > 7 > 93 > 69.91685568518885 > 0 > 2 > 0 > 0 > 4,7-bis(acetyloxy)-3-(benzoyloxy)-2,13a-dihydroxy-2,9,9,12-tetramethyl-5-methylidene-13-oxo-1H,2H,3H,3aH,4H,5H,6H,7H,8H,9H,12H,13H,13aH-cyclopenta[12]annulen-8-yl benzoate > 3.67 > 5.233700845333333 > -5.66 > 1 > 4 > 0 > 13.82392305166234 > 12.501492550857108 > -3.2795323796101545 > 162.73 > 177.7987 > 10 > 0 > 1.47e-03 g/l > 4,7-bis(acetyloxy)-3-(benzoyloxy)-2,13a-dihydroxy-2,9,9,12-tetramethyl-5-methylidene-13-oxo-1H,3H,3aH,4H,6H,7H,8H,12H-cyclopenta[12]annulen-8-yl benzoate > 0 > NP0158274 > 4,7-bis(acetyloxy)-3-(benzoyloxy)-2,13a-dihydroxy-2,9,9,12-tetramethyl-5-methylidene-13-oxo-1h,3h,3ah,4h,6h,7h,8h,12h-cyclopenta[12]annulen-8-yl benzoate $$$$