Mrv0541 05061308462D 77 84 0 0 0 0 999 V2000 4.8506 1.9496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6375 1.1522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8401 0.9391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6270 0.1416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4230 -0.0715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7092 -2.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5875 -1.7228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3904 -1.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8565 -1.3103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3712 -0.6421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5146 -0.9006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8726 -0.4854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1591 -0.8978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1591 -1.7228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8726 -2.1352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8826 -1.3147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8726 0.3396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8726 -2.9602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1591 -3.3726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4441 -2.9602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4441 -2.1352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4441 -1.3103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2310 1.5798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6481 2.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8612 2.9588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2709 -1.7228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9845 -2.1352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9845 -2.9602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6995 -3.3726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4144 -2.9602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4144 -2.1352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1280 -1.7228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1280 -0.8978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8429 -0.4854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1280 -5.8474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8429 -5.4350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5565 -5.8474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5565 -6.6724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6999 -4.6100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9864 -4.1976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2714 -4.6100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5565 -4.1976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8429 -4.6100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1280 -4.1976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1280 -3.3726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8429 -2.9602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8429 -2.1352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5565 -1.7228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2714 -5.4350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9864 -5.8474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5565 -3.3726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8002 -4.0037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2709 -3.3726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2598 -4.0037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8295 0.3561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6164 1.1522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1994 1.7351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9863 2.5326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5691 3.1156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3560 3.9130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9390 4.4960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7364 4.2829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3194 4.8658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1169 4.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6999 5.2356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2360 0.7823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8191 1.3653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6059 2.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1888 2.7457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9757 3.5431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9284 5.5066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7259 5.2934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3088 5.8764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1063 5.6632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6893 6.2462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8097 2.3758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0957 6.6724 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 72 1 0 0 0 0 62 63 1 0 0 0 0 63 64 1 0 0 0 0 63 74 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 76 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 73 77 1 0 0 0 0 74 75 1 0 0 0 0 M END > CHEM029761 > 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)C4O)C(C)(C)C3CCC21C > InChI=1S/C54H92O23/c1-23(2)10-9-14-54(8,77-48-44(69)40(65)37(62)29(74-48)22-70-46-42(67)38(63)34(59)26(19-55)71-46)24-11-16-53(7)33(24)25(58)18-31-51(5)15-13-32(50(3,4)30(51)12-17-52(31,53)6)75-49-45(41(66)36(61)28(21-57)73-49)76-47-43(68)39(64)35(60)27(20-56)72-47/h10,24-49,55-69H,9,11-22H2,1-8H3 > GZYPWOGIYAIIPV-UHFFFAOYSA-N > C54H92O23 > 1109.2945 > 1108.60293925 > 23 > 119.44170608059684 > 0 > 15 > 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-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol > -0.24 > -1.5514047776666662 > -3.02 > 1 > 8 > 0 > 12.185134421885058 > 11.751605954439546 > -3.6486743719488306 > 377.29 > 266.88910000000004 > 16 > 0 > 1.07e+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-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol > 0 > Ginsenoside Rb1 > 41753-43-9 $$$$