Mrv0541 02241216402D 86 94 0 0 0 0 999 V2000 4.8511 3.1873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6379 2.3897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8419 2.1766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6273 1.3791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4248 1.1660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0003 -1.2004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 -0.4853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3921 -0.6710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8583 -0.0729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3730 0.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5163 0.3368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8742 0.7522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1592 0.3397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1592 -0.4853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8742 -0.8979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 -1.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8742 1.5772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8742 -1.7229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1592 -2.1354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4442 -1.7229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4442 -0.8979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4442 -0.0729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2317 2.8174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6486 3.4004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8618 4.1979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2695 -0.4853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9845 -0.8979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9845 -1.7229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6981 -2.1354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4131 -1.7229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4131 -0.8979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1281 -0.4853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1281 0.3397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8419 0.7522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6981 -5.4354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4131 -5.8480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4131 -6.6730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6981 -7.0855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8002 -2.7665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2695 -2.1354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2599 -2.7665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8312 1.5936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6166 2.3897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2011 2.9728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9865 3.7704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5709 4.3534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3564 5.1509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9408 5.7339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7370 5.5208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3200 6.1037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1175 5.8906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7005 6.4736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2376 2.0199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8206 2.6028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6075 3.4004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1904 3.9835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9773 4.7810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9301 6.7445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7263 6.5314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3108 7.1144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1069 6.9013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6899 7.4842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8100 3.6135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0962 7.9105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5569 -0.4853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8419 -0.8979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8419 -1.7229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1281 -2.1354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1281 -2.9603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8419 -3.3729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5569 -2.9603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2719 -3.3729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9855 -2.9603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7005 -3.3729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5569 -2.1354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9855 -4.6104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2719 -4.1979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5569 -4.6104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8419 -4.1979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1281 -4.6104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1281 -5.4354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8419 -5.8480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8419 -6.6730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1281 -7.0855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1281 -7.9105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5569 -5.4354 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 42 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 40 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 40 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 68 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 32 66 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 81 1 0 0 0 0 37 38 1 0 0 0 0 37 84 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 43 54 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 45 56 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 48 59 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 50 61 1 0 0 0 0 51 52 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 55 63 1 0 0 0 0 56 57 1 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 60 64 1 0 0 0 0 61 62 1 0 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 67 75 1 0 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 70 71 1 0 0 0 0 70 79 1 0 0 0 0 71 72 1 0 0 0 0 72 73 1 0 0 0 0 72 77 1 0 0 0 0 73 74 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 86 1 0 0 0 0 79 80 1 0 0 0 0 80 81 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 84 85 1 0 0 0 0 M END > CHEM028931 > chemdb > CC(C)=CCCC(C)(OC1OC(COC2OC(CO)C(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)C4OC4OCC(O)C(O)C4O)C(C)(C)C3CCC21C > InChI=1S/C59H100O27/c1-24(2)10-9-14-59(8,86-52-47(76)42(71)40(69)31(82-52)23-78-50-46(75)41(70)37(66)28(19-60)79-50)25-11-16-58(7)35(25)26(63)18-33-56(5)15-13-34(55(3,4)32(56)12-17-57(33,58)6)83-53-48(43(72)38(67)29(20-61)80-53)85-54-49(44(73)39(68)30(21-62)81-54)84-51-45(74)36(65)27(64)22-77-51/h10,25-54,60-76H,9,11-23H2,1-8H3 > HERICYNRBVMDFO-UHFFFAOYSA-N > C59H100O27 > 1241.4091 > 1240.645197994 > 27 > 130.93000616557552 > 0 > 17 > 0 > 0 > 2-[(2-{5-[(3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)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-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol > -0.89 > -2.6919054813333334 > -2.75 > 1 > 9 > 0 > 12.176186065608052 > 11.748137206438313 > -3.672687979286131 > 436.21000000000015 > 293.3399 > 18 > 0 > 2.20e+00 g/l > 2-[(2-{5-[(3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)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-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol > 0 > Notoginsenoside Fa > 88100-04-3 $$$$