Mrv0541 02241210462D 64 70 0 0 0 0 999 V2000 -1.5821 -0.7735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5821 -1.5986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8684 -2.0112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1560 -1.5986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1560 -0.7735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8684 -0.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5575 -2.0112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2700 -1.5986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2700 -0.7735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5575 -0.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9808 -0.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9808 0.4586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2700 0.8684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5575 0.4586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7606 -0.6153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2406 0.0488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7606 0.7102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2700 1.6935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9808 -1.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0164 1.4940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7301 1.9052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4438 1.4940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1575 1.9052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8713 1.4940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5850 1.9052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8713 0.6690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3756 2.0140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0164 2.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2700 0.0515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1560 0.0515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2971 -2.0112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2809 -2.7262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4558 -2.7262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0110 -1.5986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0110 -0.7735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7260 -0.3609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4411 -0.7735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4411 -1.5986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7260 -2.0112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7260 0.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4411 0.8767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1562 -0.3609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1562 -2.0112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7260 -2.8362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4411 -3.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1548 -2.8362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8699 -3.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8699 -4.0753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1548 -4.4893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4411 -4.0753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5850 -4.4879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1548 -5.3144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7260 -4.4865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3756 2.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0906 3.2516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0906 4.0767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3756 4.4893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6605 4.0767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6605 3.2516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8057 4.4893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5209 4.0767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3756 5.3144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9454 4.4893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9454 2.8390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 5 30 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 29 1 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 11 19 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 13 18 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 20 1 0 0 0 0 20 21 1 0 0 0 0 20 27 1 0 0 0 0 20 28 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 27 54 1 0 0 0 0 31 34 1 0 0 0 0 34 35 1 0 0 0 0 34 39 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 36 40 1 0 0 0 0 37 38 1 0 0 0 0 37 42 1 0 0 0 0 38 39 1 0 0 0 0 38 43 1 0 0 0 0 39 44 1 0 0 0 0 40 41 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 45 50 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 51 1 0 0 0 0 49 50 1 0 0 0 0 49 52 1 0 0 0 0 50 53 1 0 0 0 0 54 55 1 0 0 0 0 54 59 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 56 60 1 0 0 0 0 57 58 1 0 0 0 0 57 62 1 0 0 0 0 58 59 1 0 0 0 0 58 63 1 0 0 0 0 59 64 1 0 0 0 0 60 61 1 0 0 0 0 M END > CHEM028449 > chemdb > CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OCC(O)C(O)C4O)C(C)(C)C3CCC21C > InChI=1S/C47H80O17/c1-22(2)10-9-14-47(8,64-41-38(58)35(55)33(53)26(19-48)60-41)23-11-16-46(7)31(23)24(50)18-29-44(5)15-13-30(43(3,4)28(44)12-17-45(29,46)6)62-42-39(36(56)34(54)27(20-49)61-42)63-40-37(57)32(52)25(51)21-59-40/h10,23-42,48-58H,9,11-21H2,1-8H3 > GOHCSRAOXZPHFO-UHFFFAOYSA-N > C47H80O17 > 917.1279 > 916.539551134 > 17 > 99.91079063604212 > 0 > 11 > 0 > 0 > 2-{[2-(5-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxyoxan-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-(hydroxymethyl)oxane-3,4,5-triol > 1.13 > 0.8497658100000014 > -3.63 > 1 > 7 > 0 > 12.333000795556053 > 11.861497798826553 > -3.5265806826167294 > 277.90999999999997 > 228.5133000000001 > 12 > 0 > 2.16e-01 g/l > 2-{[2-(5-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxyoxan-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-(hydroxymethyl)oxane-3,4,5-triol > 0 > Vinaginsenoside R16 > 226712-37-4 $$$$