Mrv0541 05061307572D 67 73 0 0 0 0 999 V2000 9.1080 2.8402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6834 -1.5091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6233 -1.5401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7887 1.1896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2138 1.1519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0535 0.0224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1597 3.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9147 1.7007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7064 1.4688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2002 1.2895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5632 -0.8511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3845 0.3232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7196 2.5023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0866 0.7564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7350 0.6081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2653 -0.4179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4908 1.6229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0948 1.8067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1575 3.1468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9393 5.7087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1501 -1.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3031 2.0385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6959 1.9425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1929 2.0561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8838 2.7553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3426 5.1390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4480 -0.5850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8370 -0.4597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5149 0.7982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4087 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9192 1.6647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5858 3.1885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5509 5.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4721 0.2396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3121 2.7971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9542 4.8011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2299 0.6728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3363 1.9725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1493 3.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9562 0.2814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6342 1.5392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9410 3.7677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9803 -0.5433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1349 -0.8929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8128 0.3650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2411 0.4067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9433 0.8400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9279 2.7342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6915 2.3764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5445 2.7136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7310 5.4769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1259 -1.8430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1687 2.8807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5617 4.0132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3559 6.1725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1983 0.6310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0142 3.2303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1625 5.0330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2058 1.4974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0625 1.5810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5526 3.4298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9079 1.9306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5377 4.3374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2782 -0.9765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7066 -0.9346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6583 0.7146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1362 2.9660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9 8 1 0 0 0 0 13 8 1 0 0 0 0 14 12 1 0 0 0 0 15 10 1 0 0 0 0 16 11 1 0 0 0 0 22 1 1 0 0 0 0 22 9 2 0 0 0 0 22 18 1 0 0 0 0 23 10 1 0 0 0 0 24 17 1 0 0 0 0 25 19 1 0 0 0 0 26 20 1 0 0 0 0 27 21 1 0 0 0 0 28 11 1 0 0 0 0 29 17 1 0 0 0 0 30 12 1 0 0 0 0 31 23 1 0 0 0 0 31 24 1 0 0 0 0 32 25 1 0 0 0 0 33 26 1 0 0 0 0 34 27 1 0 0 0 0 35 32 1 0 0 0 0 36 33 1 0 0 0 0 37 34 1 0 0 0 0 38 35 1 0 0 0 0 39 36 1 0 0 0 0 40 37 1 0 0 0 0 41 38 1 0 0 0 0 42 39 1 0 0 0 0 43 40 1 0 0 0 0 44 2 1 0 0 0 0 44 3 1 0 0 0 0 44 28 1 0 0 0 0 44 30 1 0 0 0 0 45 4 1 0 0 0 0 45 14 1 0 0 0 0 45 28 1 0 0 0 0 45 29 1 0 0 0 0 46 5 1 0 0 0 0 46 16 1 0 0 0 0 46 29 1 0 0 0 0 47 6 1 0 0 0 0 47 15 1 0 0 0 0 47 31 1 0 0 0 0 47 46 1 0 0 0 0 48 7 1 0 0 0 0 48 13 1 0 0 0 0 48 23 1 0 0 0 0 49 18 1 0 0 0 0 50 19 1 0 0 0 0 51 20 1 0 0 0 0 52 21 1 0 0 0 0 53 24 1 0 0 0 0 54 32 1 0 0 0 0 55 33 1 0 0 0 0 56 34 1 0 0 0 0 57 35 1 0 0 0 0 58 36 1 0 0 0 0 59 37 1 0 0 0 0 60 38 1 0 0 0 0 61 39 1 0 0 0 0 62 25 1 0 0 0 0 62 41 1 0 0 0 0 63 26 1 0 0 0 0 63 42 1 0 0 0 0 64 27 1 0 0 0 0 64 43 1 0 0 0 0 65 30 1 0 0 0 0 65 43 1 0 0 0 0 66 40 1 0 0 0 0 66 41 1 0 0 0 0 67 42 1 0 0 0 0 67 48 1 0 0 0 0 M END > CHEM028641 > chemdb > C\C(CO)=C/CCC(C)(OC1OC(CO)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/C48H82O19/c1-22(18-49)9-8-13-48(7,67-42-39(61)36(58)33(55)26(20-51)63-42)23-10-15-47(6)31(23)24(53)17-29-45(4)14-12-30(44(2,3)28(45)11-16-46(29,47)5)65-43-40(37(59)34(56)27(21-52)64-43)66-41-38(60)35(57)32(54)25(19-50)62-41/h9,23-43,49-61H,8,10-21H2,1-7H3/b22-9+ > FYLCRNXWEIOTFS-LSFURLLWSA-N > C48H82O19 > 963.1533 > 962.545030442 > 19 > 104.60686938405476 > 0 > 13 > 0 > 0 > 2-{[(5E)-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)-7-hydroxy-6-methylhept-5-en-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol > -0.02 > -1.061340288666664 > -3.17 > 1 > 7 > 0 > 12.313264688969848 > 11.847210111164932 > -3.6483775957536517 > 318.37000000000006 > 236.2505000000001 > 14 > 0 > 6.46e-01 g/l > 2-{[(5E)-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)-7-hydroxy-6-methylhept-5-en-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol > 0 > Vinaginsenoside R24 > 218917-14-7 $$$$