Mrv0541 05061308392D 84 92 0 0 0 0 999 V2000 0.5300 1.9516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0777 1.3937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1016 0.5884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8886 0.3411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6757 0.0937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0387 -2.3531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1328 -1.5335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6542 -1.7808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1327 -1.1087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6413 -0.4460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1408 -0.7085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8592 -0.3029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8286 0.5168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5697 -0.7223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5617 -1.5473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8433 -1.9529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8665 -1.1309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8480 -2.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5617 -3.1949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2769 -2.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2769 -1.9599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2769 -1.1347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9584 3.3148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3507 2.7569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4364 3.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9922 -1.5473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7059 -1.9599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7059 -2.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4211 -3.1949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1364 -2.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8502 -3.1949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8502 -4.0244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1364 -1.9599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8502 -1.5473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8498 -0.7223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5641 -0.3095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8502 -5.6748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5654 -5.2623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5654 -4.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2793 -4.0244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2793 -6.5001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2793 -5.6748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9945 -5.2623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9945 -4.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7083 -4.0244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4221 -4.4370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2793 -1.5473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5654 -1.9599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5654 -2.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2793 -3.1949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7083 -5.6748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5216 -3.8304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9922 -3.1949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4598 -3.8304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1360 1.1281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9413 1.3074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4992 0.6997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 5.8504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4253 6.0297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6726 6.8168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1886 2.0945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9939 2.2738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2412 3.0609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7885 5.6013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9832 5.4220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7359 4.6350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9306 4.4556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3727 5.0634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3571 1.8454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5518 1.6661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3045 0.8790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8624 0.2713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2938 4.0272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4779 6.9961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7252 7.7832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5305 7.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7778 8.7495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0358 6.3884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8411 6.5677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0884 7.3548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8937 7.5341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1673 8.3909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6833 3.6686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4581 -0.0873 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 16 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 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 21 1 0 0 0 0 16 17 1 0 0 0 0 16 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 33 1 0 0 0 0 31 32 1 0 0 0 0 31 49 1 0 0 0 0 32 39 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 48 1 0 0 0 0 35 36 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 38 42 1 0 0 0 0 39 40 1 0 0 0 0 40 44 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 43 51 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 47 48 1 0 0 0 0 48 49 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 61 1 0 0 0 0 57 71 1 0 0 0 0 57 84 1 0 0 0 0 58 59 1 0 0 0 0 58 68 1 0 0 0 0 59 60 1 0 0 0 0 59 65 1 0 0 0 0 60 74 1 0 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 62 70 1 0 0 0 0 63 83 1 0 0 0 0 64 65 1 0 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 66 73 1 0 0 0 0 67 68 1 0 0 0 0 67 83 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 74 75 1 0 0 0 0 74 78 1 0 0 0 0 75 76 1 0 0 0 0 75 82 1 0 0 0 0 76 77 1 0 0 0 0 76 80 1 0 0 0 0 78 79 1 0 0 0 0 79 80 1 0 0 0 0 80 81 1 0 0 0 0 M END > CHEM029585 > chemdb > CC(C)=CCCC(C)(OC1OC(COC2OCC(OC3OCC(O)C(O)C3O)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(8,84-52-47(74)42(69)39(66)30(81-52)22-76-49-45(72)40(67)31(23-77-49)80-50-44(71)36(63)27(62)21-75-50)25-11-16-57(7)35(25)26(61)18-33-55(5)15-13-34(54(3,4)32(55)12-17-56(33,57)6)82-53-48(43(70)38(65)29(20-60)79-53)83-51-46(73)41(68)37(64)28(19-59)78-51/h10,25-53,59-74H,9,11-23H2,1-8H3 > KVMXBSSOCCPAOR-UHFFFAOYSA-N > C58H98O26 > 1211.3831 > 1210.634633308 > 26 > 127.23082208684161 > 0 > 16 > 0 > 0 > 2-[({3,4-dihydroxy-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)methyl]-6-{[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}oxane-3,4,5-triol > -0.70 > -2.061570539333335 > -2.90 > 1 > 9 > 0 > 12.086070667164405 > 11.676616797105684 > -3.6786228428906265 > 415.9800000000001 > 287.37739999999997 > 17 > 0 > 1.53e+00 g/l > 2-[({3,4-dihydroxy-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)methyl]-6-{[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}oxane-3,4,5-triol > 0 > Ginsenoside Ra1 > 83459-41-0 $$$$