Mrv0541 05061308312D 62 70 0 0 0 0 999 V2000 -0.5509 3.9031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3538 2.9089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1271 3.3855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5813 3.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4144 5.5492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5908 5.5013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7861 3.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7743 3.4814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9507 3.4334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6002 3.5325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6913 4.9079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8101 5.2961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3035 3.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0616 5.6451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1343 1.4135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5544 4.8088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8093 5.1476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2632 4.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4781 3.7244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8677 4.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1446 4.2186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2205 4.7641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6738 4.0748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3969 4.7161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6329 5.1955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0772 4.9173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8852 5.6931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5046 2.1507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4799 3.2896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2110 4.1032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0863 4.5063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2555 6.4303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3282 2.1987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0791 6.4782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7160 3.7690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5324 5.7890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6985 2.9359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2451 3.6252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8924 3.7211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1621 5.0517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4215 3.5773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4974 4.1227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0266 3.9789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8914 4.3044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6083 6.3344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3107 1.3655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0032 5.9328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1096 2.5524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9099 4.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8021 7.1196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7815 1.5094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4494 7.2155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1693 3.0797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3560 5.8369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4390 4.4104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3685 4.9426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9682 4.2665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3385 5.0038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0513 2.8400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5221 2.9838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6154 4.3624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2617 5.0417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6 5 1 0 0 0 0 9 8 1 0 0 0 0 10 7 1 0 0 0 0 18 1 2 0 0 0 0 18 7 1 0 0 0 0 18 16 1 0 0 0 0 19 2 1 0 0 0 0 20 5 1 0 0 0 0 20 11 1 0 0 0 0 21 8 1 0 0 0 0 21 11 1 0 0 0 0 22 6 1 0 0 0 0 23 13 1 0 0 0 0 23 22 1 0 0 0 0 24 12 1 0 0 0 0 24 22 1 0 0 0 0 25 17 1 0 0 0 0 26 12 1 0 0 0 0 27 14 1 0 0 0 0 28 15 1 0 0 0 0 29 13 1 0 0 0 0 30 19 1 0 0 0 0 30 26 1 0 0 0 0 31 25 1 0 0 0 0 32 27 1 0 0 0 0 33 28 1 0 0 0 0 34 32 1 0 0 0 0 35 31 1 0 0 0 0 36 34 1 0 0 0 0 37 33 1 0 0 0 0 38 37 1 0 0 0 0 39 35 1 0 0 0 0 40 36 1 0 0 0 0 41 38 1 0 0 0 0 42 3 1 0 0 0 0 42 9 1 0 0 0 0 42 20 1 0 0 0 0 42 23 1 0 0 0 0 43 4 1 0 0 0 0 43 24 1 0 0 0 0 43 29 1 0 0 0 0 43 30 1 0 0 0 0 44 10 1 0 0 0 0 44 19 1 0 0 0 0 45 14 1 0 0 0 0 46 15 1 0 0 0 0 47 25 1 0 0 0 0 48 29 2 0 0 0 0 49 31 1 0 0 0 0 50 32 1 0 0 0 0 51 33 1 0 0 0 0 52 34 1 0 0 0 0 53 35 1 0 0 0 0 54 36 1 0 0 0 0 55 17 1 0 0 0 0 55 39 1 0 0 0 0 56 16 1 0 0 0 0 56 44 1 0 0 0 0 57 21 1 0 0 0 0 57 41 1 0 0 0 0 58 27 1 0 0 0 0 58 40 1 0 0 0 0 59 28 1 0 0 0 0 59 41 1 0 0 0 0 60 37 1 0 0 0 0 60 39 1 0 0 0 0 61 38 1 0 0 0 0 61 40 1 0 0 0 0 62 26 1 0 0 0 0 62 44 1 0 0 0 0 M END > CHEM029408 > chemdb > CC1C2C(CC3C4CCC5CC(CCC5(C)C4CC(=O)C23C)OC2OC(CO)C(O)C(OC3OCC(O)C(O)C3O)C2OC2OC(CO)C(O)C(O)C2O)OC11CCC(=C)CO1 > InChI=1S/C44H68O18/c1-18-7-10-44(56-16-18)19(2)30-26(62-44)12-24-22-6-5-20-11-21(8-9-42(20,3)23(22)13-29(48)43(24,30)4)57-41-38(61-40-36(54)34(52)32(50)27(14-45)58-40)37(33(51)28(15-46)59-41)60-39-35(53)31(49)25(47)17-55-39/h19-28,30-41,45-47,49-54H,1,5-17H2,2-4H3 > CIJLYOWWFYEYAN-UHFFFAOYSA-N > C44H68O18 > 884.9999 > 884.440565372 > 18 > 94.56997477596894 > 0 > 9 > 0 > 0 > 16'-{[5-hydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-7',9',13'-trimethyl-5-methylidene-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-10'-one > -0.41 > -0.2862625019999986 > -2.91 > 1 > 9 > 0 > 12.390489920643184 > 11.894560954180845 > -2.9810909910944696 > 272.9799999999999 > 211.08700000000007 > 8 > 0 > 1.10e+00 g/l > 16'-{[5-hydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-7',9',13'-trimethyl-5-methylidene-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-10'-one > 0 > Schidigerasaponin B1 > 266997-32-4 $$$$