Mrv0541 02241209002D 76 83 0 0 0 0 999 V2000 -4.7747 -0.5346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7747 -1.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0603 -1.7732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3475 -1.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3475 -0.5346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0603 -0.1231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6332 -1.7732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9203 -1.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9203 -0.5346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6332 -0.1231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2089 -0.1231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2089 0.6984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9203 1.1084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6332 0.6984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4287 -0.3764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0516 0.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4287 0.9501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4287 1.7758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2855 2.1873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9996 1.7758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7139 2.1873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4282 1.7758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1425 2.1873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4282 0.9501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1428 2.1873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4287 2.6015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3571 1.2047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2089 -0.9488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9203 1.9341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9203 0.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3475 0.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4732 -2.4873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6489 -2.4873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4903 -1.7732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2153 3.3997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5869 3.6007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8125 4.3948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2374 4.9878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5649 4.7870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7933 3.9914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5943 3.7893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1428 5.3801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4630 5.7819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6135 4.5956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1875 4.0025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0131 4.0025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4260 3.2870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2517 3.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6646 4.0025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2517 4.7168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4260 4.7168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0131 5.4324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6646 5.4324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4903 4.0025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6646 2.5713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3923 3.5760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8053 4.2915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6324 4.2915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0465 3.5760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6324 2.8589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8053 2.8589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3923 2.1447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0465 2.1447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8723 3.5760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0465 5.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6324 5.7228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6332 -2.5987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4199 -3.3971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9966 -3.9873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7749 -4.7814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9782 -4.9865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4029 -4.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6245 -3.6075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0452 -3.0199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6035 -4.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7566 -5.7819 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 67 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 56 1 0 0 0 0 44 45 1 0 0 0 0 45 46 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 56 57 1 0 0 0 0 56 61 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 58 65 1 0 0 0 0 59 60 1 0 0 0 0 59 64 1 0 0 0 0 60 61 1 0 0 0 0 60 63 1 0 0 0 0 61 62 1 0 0 0 0 65 66 1 0 0 0 0 67 68 1 0 0 0 0 68 69 1 0 0 0 0 68 73 1 0 0 0 0 69 70 1 0 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 71 76 1 0 0 0 0 72 73 1 0 0 0 0 72 75 1 0 0 0 0 73 74 1 0 0 0 0 M END > CHEM029257 > chemdb > CC1OC(OCC2OC(OC(C)(CCC=C(C)C)C3(O)CCC4(C)C3C(O)CC3C5(C)CCC(O)C(C)(C)C5C(CC43C)OC3OCC(O)C(O)C3O)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O > InChI=1S/C53H90O23/c1-22(2)11-10-13-52(9,76-47-41(75-46-40(67)36(63)33(60)27(19-54)73-46)37(64)34(61)28(74-47)21-70-44-39(66)35(62)31(58)23(3)71-44)53(68)16-15-50(7)42(53)24(55)17-29-49(6)14-12-30(57)48(4,5)43(49)26(18-51(29,50)8)72-45-38(65)32(59)25(56)20-69-45/h11,23-47,54-68H,10,12-21H2,1-9H3 > OZEDEQJLFBHIEM-UHFFFAOYSA-N > C53H90O23 > 1095.2679 > 1094.587289186 > 23 > 115.74994979393523 > 0 > 15 > 0 > 0 > 2-({3,4-dihydroxy-6-[(6-methyl-2-{5,14,16-trihydroxy-2,6,6,10,11-pentamethyl-8-[(3,4,5-trihydroxyoxan-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 > -0.31 > -2.222713974000002 > -2.52 > 1 > 8 > 0 > 12.186672325087496 > 11.753189389874882 > -3.6489652750535706 > 377.2900000000001 > 262.32770000000005 > 14 > 0 > 3.27e+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-trihydroxyoxan-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-xyloside > 251101-56-1 $$$$