Mrv0541 05061308392D 84 92 0 0 0 0 999 V2000 3.4466 0.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8444 -0.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0317 -0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8212 -1.0439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6107 -1.2834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9207 -3.7471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8184 -2.9284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6078 -3.1680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0796 -2.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5817 -1.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8022 -2.1036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0798 -1.7052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3735 -2.1316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3897 -2.9564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1121 -3.3549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0933 -2.5483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0744 -0.8832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1130 -4.1841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4094 -4.6041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6913 -4.2027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6809 -3.3796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6686 -2.5525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8614 1.9304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2593 1.3665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4698 1.6060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0390 -2.9755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7480 -3.3973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7360 -4.2231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4449 -4.6461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1647 -4.2420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1766 -3.4177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8963 -3.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9083 -2.1906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6279 -1.7893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8403 -7.1386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5599 -6.7358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2688 -7.1590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2569 -7.9834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4266 -5.9508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7190 -5.5290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9992 -5.9318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2903 -5.5087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5705 -5.9128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8615 -5.4910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8737 -4.6639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5932 -4.2624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6054 -3.4367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3249 -3.0353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9871 -6.7575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6947 -7.1793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3022 -4.6842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5388 -5.2638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0177 -4.6245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5226 -5.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0607 -0.2544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8642 -0.0671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1037 0.7224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9071 0.9097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1467 1.6991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9501 1.8864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1896 2.6759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6917 3.3337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1635 4.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8932 4.7900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4331 5.4138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3654 -1.4587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4281 -0.6693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2316 -0.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4711 0.3075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2745 0.4948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6108 4.2689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9530 3.7710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9691 2.9462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6459 2.4744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3929 2.8247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4630 3.6467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2100 3.9969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8868 3.5252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6338 3.8754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7955 -1.0841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4935 2.2314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8167 2.7032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0697 2.3529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9996 1.5309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 10 1 0 0 0 0 4 55 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 15 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 12 13 1 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 21 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 53 1 0 0 0 0 21 22 1 0 0 0 0 21 26 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 53 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 45 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 32 47 1 0 0 0 0 33 34 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 36 43 1 0 0 0 0 37 38 1 0 0 0 0 37 49 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 41 49 1 0 0 0 0 42 43 1 0 0 0 0 43 44 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 49 50 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 56 67 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 58 69 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 61 73 1 0 0 0 0 62 63 1 0 0 0 0 63 64 1 0 0 0 0 63 72 1 0 0 0 0 64 65 1 0 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 68 69 1 0 0 0 0 68 80 1 0 0 0 0 69 70 1 0 0 0 0 71 72 1 0 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 74 75 1 0 0 0 0 75 76 1 0 0 0 0 75 83 1 0 0 0 0 76 77 1 0 0 0 0 77 78 1 0 0 0 0 78 79 1 0 0 0 0 78 82 1 0 0 0 0 81 82 1 0 0 0 0 82 83 1 0 0 0 0 83 84 1 0 0 0 0 M END > CHEM029586 > chemdb > CC(C)=CCCC(C)(OC1OC(COC2OC(CO)C(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC21C > InChI=1S/C58H98O26/c1-24(2)10-9-14-58(8,84-51-46(74)42(70)39(67)31(80-51)23-76-52-47(40(68)30(21-61)78-52)82-49-44(72)36(64)27(63)22-75-49)25-11-16-57(7)35(25)26(62)18-33-55(5)15-13-34(54(3,4)32(55)12-17-56(33,57)6)81-53-48(43(71)38(66)29(20-60)79-53)83-50-45(73)41(69)37(65)28(19-59)77-50/h10,25-53,59-74H,9,11-23H2,1-8H3 > UEBIBJSWHIZNCA-UHFFFAOYSA-N > C58H98O26 > 1211.3831 > 1210.634633308 > 26 > 128.23850921860188 > 0 > 16 > 0 > 0 > 2-{[2-(5-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-16-hydroxy-2,6,6,10,11-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl)-6-methylhept-5-en-2-yl]oxy}-6-({[4-hydroxy-5-(hydroxymethyl)-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxolan-2-yl]oxy}methyl)oxane-3,4,5-triol > -0.82 > -2.061570539333335 > -2.87 > 1 > 9 > 0 > 12.17585415408728 > 11.747820743893646 > -3.672687979281746 > 415.9800000000001 > 287.3774 > 18 > 0 > 1.65e+00 g/l > 2-{[2-(5-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-16-hydroxy-2,6,6,10,11-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl)-6-methylhept-5-en-2-yl]oxy}-6-({[4-hydroxy-5-(hydroxymethyl)-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxolan-2-yl]oxy}methyl)oxane-3,4,5-triol > 0 > Ginsenoside Ra2 > 83459-42-1 $$$$