Mrv1533004241518392D 42 46 0 0 0 0 999 V2000 -1.0005 -0.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2905 0.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4580 -0.2059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0196 -0.8801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8664 -1.0360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0533 -1.8396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5371 -0.5373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2006 -1.0276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9570 -0.6982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0498 0.1216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3864 0.6119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6300 0.2825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0708 0.9469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2057 1.0937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8765 0.4182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6935 0.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3864 -0.2305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4250 1.5055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3386 1.1173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0537 1.5288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4705 1.8750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4805 1.6630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0652 2.3758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2402 2.3726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4749 3.0919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0595 3.8048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4692 4.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2942 4.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7095 3.8113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2999 3.0952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8767 1.2754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5402 0.7851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8724 1.2572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1743 2.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6603 2.6703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9901 2.1475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1077 -1.8474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5383 -1.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6032 -1.5922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2218 -1.5876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6383 -2.2998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6303 -0.8708 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 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 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 7 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 3 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 14 18 1 0 0 0 0 18 19 1 0 0 0 0 2 19 1 0 0 0 0 19 20 1 0 0 0 0 14 21 1 0 0 0 0 13 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 25 30 1 0 0 0 0 11 31 1 0 0 0 0 31 32 1 0 0 0 0 10 32 1 0 0 0 0 11 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 8 37 1 0 0 0 0 7 38 1 0 0 0 0 4 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 40 42 1 0 0 0 0 M END > NP0137197 > NP-MRD > CC(=O)OC1C2=C(C)C(O)CC(O)(C(OC(=O)C3=CC=CC=C3)C3C4(COC4CC(O)C3(C)C1=O)OC(C)=O)C2(C)C > InChI=1S/C31H38O11/c1-15-19(34)13-31(38)26(41-27(37)18-10-8-7-9-11-18)24-29(6,20(35)12-21-30(24,14-39-21)42-17(3)33)25(36)23(40-16(2)32)22(15)28(31,4)5/h7-11,19-21,23-24,26,34-35,38H,12-14H2,1-6H3 > OVMSOCFBDVBLFW-UHFFFAOYSA-N > C31H38O11 > 586.634 > 586.241412044 > 8 > 80 > 58.76977759041993 > 1 > 3 > 0 > 0 > 4,12-bis(acetyloxy)-1,9,15-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0³,¹⁰.0⁴,⁷]heptadec-13-en-2-yl benzoate > 1.44 > 1.0427289479999988 > -3.47 > 1 > 5 > 0 > 13.27542480660236 > 9.66147122764083 > -3.0198546313290917 > 165.89 > 145.3486 > 7 > 0 > 1.98e-01 g/l > 4,12-bis(acetyloxy)-1,9,15-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0³,¹⁰.0⁴,⁷]heptadec-13-en-2-yl benzoate > 0 > NP0137197 > Baccatin III $$$$