Mrv0541 02241211012D 78 85 0 0 0 0 999 V2000 -4.7595 -0.5722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7595 -1.3977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0455 -1.8105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3327 -1.3977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3327 -0.5722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0455 -0.1609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6187 -1.8105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9061 -1.3977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9061 -0.5722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6187 -0.1609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1948 -0.1609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1948 0.6603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9061 1.0702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6187 0.6603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4148 -0.4141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0654 0.2502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4148 0.9121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4148 1.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2992 2.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0132 1.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7272 2.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4413 1.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1552 2.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4413 0.9121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1288 2.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4148 2.5630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3707 1.1666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1948 -0.9865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9061 1.8957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9061 0.2502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3327 0.2502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4582 -2.5245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6342 -2.5245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5025 -1.8105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2015 3.3609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6005 3.5618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8261 4.3557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2511 4.9485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5509 4.7478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7794 3.9526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5800 3.7504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1288 5.3407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4766 5.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6269 4.5565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2005 3.9636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3780 3.5371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7907 4.2525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6175 4.2525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0317 3.5371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6175 2.8203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7907 2.8203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3780 2.1062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0317 2.1062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8571 3.5371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0317 4.9679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6175 5.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4097 -2.5245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2252 -3.3267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8196 -3.8949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6353 -4.6983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8442 -4.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2360 -4.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4273 -3.5646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8247 -2.9992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4463 -4.6088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6530 -5.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0260 3.9636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4209 3.2371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2464 3.2371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6769 3.9636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2822 4.6886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4553 4.6886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0466 5.4054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7030 5.4054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5025 3.9526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6549 2.5204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2392 -5.2597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0317 -5.0463 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 2 34 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 5 31 1 0 0 0 0 7 8 1 0 0 0 0 7 57 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 30 1 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 11 28 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 29 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 27 1 0 0 0 0 18 19 1 0 0 0 0 18 25 1 0 0 0 0 18 26 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 26 35 1 0 0 0 0 35 36 1 0 0 0 0 35 40 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 37 44 1 0 0 0 0 38 39 1 0 0 0 0 38 43 1 0 0 0 0 39 40 1 0 0 0 0 39 42 1 0 0 0 0 40 41 1 0 0 0 0 41 46 1 0 0 0 0 44 45 1 0 0 0 0 45 67 1 0 0 0 0 46 47 1 0 0 0 0 46 51 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 48 55 1 0 0 0 0 49 50 1 0 0 0 0 49 54 1 0 0 0 0 50 51 1 0 0 0 0 50 53 1 0 0 0 0 51 52 1 0 0 0 0 55 56 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 58 63 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 60 77 1 0 0 0 0 61 62 1 0 0 0 0 61 66 1 0 0 0 0 62 63 1 0 0 0 0 62 65 1 0 0 0 0 63 64 1 0 0 0 0 67 68 1 0 0 0 0 67 72 1 0 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 69 76 1 0 0 0 0 70 71 1 0 0 0 0 70 75 1 0 0 0 0 71 72 1 0 0 0 0 71 74 1 0 0 0 0 72 73 1 0 0 0 0 77 78 1 0 0 0 0 M END > CHEM029259 > chemdb > CC1OC(OCC2OC(OC(C)(CCC=C(C)C)C3(O)CCC4(C)C3C(O)CC3C5(C)CCC(O)C(C)(C)C5C(CC43C)OC3OC(CO)C(O)C(O)C3O)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O > InChI=1S/C54H92O24/c1-22(2)11-10-13-53(9,78-48-42(77-47-41(69)37(65)33(61)27(20-56)75-47)38(66)34(62)28(76-48)21-71-45-39(67)35(63)31(59)23(3)72-45)54(70)16-15-51(7)43(54)24(57)17-29-50(6)14-12-30(58)49(4,5)44(50)25(18-52(29,51)8)73-46-40(68)36(64)32(60)26(19-55)74-46/h11,23-48,55-70H,10,12-21H2,1-9H3 > XKRVXEKRWHROIF-UHFFFAOYSA-N > C54H92O24 > 1125.2939 > 1124.597853872 > 24 > 118.38830231878804 > 0 > 16 > 0 > 0 > 2-[(3,4-dihydroxy-6-{[6-methyl-2-(5,14,16-trihydroxy-2,6,6,10,11-pentamethyl-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl)hept-5-en-2-yl]oxy}-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)methoxy]-6-methyloxane-3,4,5-triol > -0.44 > -2.853048916000001 > -2.41 > 1 > 8 > 0 > 12.185569278374448 > 11.752068965849139 > -3.6489652750535706 > 397.52000000000004 > 268.2902000000001 > 15 > 0 > 4.36e+00 g/l > 2-[(3,4-dihydroxy-6-{[6-methyl-2-(5,14,16-trihydroxy-2,6,6,10,11-pentamethyl-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl)hept-5-en-2-yl]oxy}-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)methoxy]-6-methyloxane-3,4,5-triol > 0 > (3b,6a,12b,17a,20S)-Dammar-24-ene-3,6,12,17,20-pentol 20-[glucosyl-(1->2)-[rhamnosyl-(1->6)]-glucoside] 6-glucoside > 251101-58-3 $$$$