Mrv0541 05061310222D 65 72 0 0 0 0 999 V2000 5.7146 6.6495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9580 1.0675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8974 1.0675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1422 3.7620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2856 2.5246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5677 3.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1876 5.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5711 4.5870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8567 4.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4290 5.4120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8567 1.6996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7133 2.9370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4277 3.3495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5711 2.1121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4291 4.5870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0001 2.9371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7146 3.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5724 -0.7755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8580 -2.0130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4301 3.3495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8580 0.4620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7146 5.8245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8580 -1.1880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2856 4.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2869 -1.1880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5725 -2.4255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1446 2.9370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8580 1.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1422 2.1120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8567 3.3495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7133 2.1120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2869 -2.0130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1446 2.1120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5724 1.6995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5725 2.5245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4302 1.6995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8580 2.9370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0001 4.5870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1435 -0.7755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7157 2.1120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1435 2.5245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4290 3.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4278 1.6995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1422 2.9370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2856 3.3495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5712 2.9370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0001 5.4120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7146 4.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0014 -0.7755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5725 -3.2505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8591 3.3495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0014 -2.4255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8591 1.6995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2869 1.2870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2870 2.9370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4301 0.8745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8580 3.7620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4291 -1.1880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1435 4.1746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7179 6.1872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1435 0.0495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7156 2.9370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1435 1.6995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0012 1.6995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4290 2.9370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9 8 1 0 0 0 0 13 12 1 0 0 0 0 14 11 1 0 0 0 0 15 10 1 0 0 0 0 17 16 1 0 0 0 0 22 1 1 0 0 0 0 22 10 1 0 0 0 0 23 18 2 0 0 0 0 23 19 1 0 0 0 0 24 8 2 0 0 0 0 25 18 1 0 0 0 0 26 19 2 0 0 0 0 27 20 1 0 0 0 0 28 21 1 0 0 0 0 29 11 1 0 0 0 0 30 9 1 0 0 0 0 31 12 1 0 0 0 0 32 25 2 0 0 0 0 32 26 1 0 0 0 0 33 27 1 0 0 0 0 34 28 1 0 0 0 0 35 34 1 0 0 0 0 36 33 1 0 0 0 0 37 35 1 0 0 0 0 38 24 1 0 0 0 0 39 23 1 0 0 0 0 40 36 1 0 0 0 0 41 37 1 0 0 0 0 43 2 1 0 0 0 0 43 3 1 0 0 0 0 43 29 1 0 0 0 0 43 31 1 0 0 0 0 44 4 1 0 0 0 0 44 13 1 0 0 0 0 44 29 1 0 0 0 0 44 30 1 0 0 0 0 45 5 1 0 0 0 0 45 16 1 0 0 0 0 45 24 1 0 0 0 0 46 6 1 0 0 0 0 46 14 1 0 0 0 0 46 30 1 0 0 0 0 46 45 1 0 0 0 0 47 7 1 0 0 0 0 47 22 1 0 0 0 0 47 38 1 0 0 0 0 48 15 1 0 0 0 0 48 17 1 0 0 0 0 48 38 1 0 0 0 0 48 42 1 0 0 0 0 49 25 1 0 0 0 0 50 26 1 0 0 0 0 51 27 1 0 0 0 0 52 32 1 0 0 0 0 53 33 1 0 0 0 0 54 34 1 0 0 0 0 55 35 1 0 0 0 0 56 36 1 0 0 0 0 57 37 1 0 0 0 0 58 39 2 0 0 0 0 59 42 2 0 0 0 0 60 47 1 0 0 0 0 61 21 1 0 0 0 0 61 39 1 0 0 0 0 62 20 1 0 0 0 0 62 40 1 0 0 0 0 63 28 1 0 0 0 0 63 41 1 0 0 0 0 64 31 1 0 0 0 0 64 40 1 0 0 0 0 65 41 1 0 0 0 0 65 42 1 0 0 0 0 M END > CHEM031662 > chemdb > CC1CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6O)C(C)(C)C5CCC34C)C2C1(C)O)C(=O)OC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C(O)C1O > InChI=1S/C48H70O17/c1-22-10-15-48(42(59)65-41-37(57)35(55)34(54)28(63-41)21-61-39(58)23-18-25(49)32(52)26(50)19-23)17-16-45(5)24(38(48)47(22,7)60)8-9-30-44(4)13-12-31(43(2,3)29(44)11-14-46(30,45)6)64-40-36(56)33(53)27(51)20-62-40/h8,18-19,22,27-31,33-38,40-41,49-57,60H,9-17,20-21H2,1-7H3 > MBFMXPAPAAZQQU-UHFFFAOYSA-N > C48H70O17 > 919.0592 > 918.461300814 > 15 > 98.58822450784017 > 0 > 10 > 0 > 0 > 3,4,5-trihydroxy-6-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-2-yl 1-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-10-[(3,4,5-trihydroxyoxan-2-yl)oxy]-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate > 3.83 > 3.520587001333336 > -4.25 > 1 > 8 > 0 > 11.198308100887418 > 8.107836351384575 > -3.649112887308334 > 282.59 > 229.9498000000001 > 9 > 0 > 5.20e-02 g/l > 3,4,5-trihydroxy-6-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-2-yl 1-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-10-[(3,4,5-trihydroxyoxan-2-yl)oxy]-2,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylate > 0 > 28-Galloylglucosylpomolate 3-arabinoside > 356785-75-6 $$$$