Mrv0541 05061312072D 68 74 0 0 0 0 999 V2000 3.4482 -1.5147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3876 -1.5087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0951 3.9221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4291 2.3063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6473 1.1787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0587 1.1927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8701 -0.0666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3523 1.9997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0602 1.1598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3503 -0.8877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9056 3.5634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2139 0.3617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9306 0.7702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5716 0.4951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0670 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0976 3.3963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3640 1.5873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0865 3.2611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1547 5.0068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3653 -0.8558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5790 1.8299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0808 1.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7986 2.8447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9379 4.7475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6486 -0.4473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6381 -0.4712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3595 0.7623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4542 2.9472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2093 -0.4632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7930 1.5794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5154 3.2532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5540 5.2962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6440 0.3776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2276 2.8367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3372 5.0368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0727 0.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2230 2.0118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5043 4.2290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7849 0.3697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5063 1.6032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8881 3.6803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7803 -0.4553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9214 -0.8797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2621 3.1142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6427 0.3538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0716 0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7885 0.7543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8383 2.6131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0911 4.0861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9876 5.8147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3699 -1.6809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0854 2.8208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1948 2.1640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5200 4.0781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3871 6.1040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3562 0.7941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9444 3.2452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9534 5.5854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0773 1.6111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9352 1.5952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2875 3.9696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0700 3.2813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7941 2.0196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1050 3.9396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0635 -0.8638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4925 -0.8717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5017 0.7782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0552 2.8724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13 12 1 0 0 0 0 14 9 1 0 0 0 0 15 10 1 0 0 0 0 16 11 1 0 0 0 0 21 9 1 0 0 0 0 22 17 1 0 0 0 0 23 18 1 0 0 0 0 24 19 1 0 0 0 0 25 20 1 0 0 0 0 26 10 1 0 0 0 0 27 17 1 0 0 0 0 28 11 1 0 0 0 0 29 12 1 0 0 0 0 30 21 1 0 0 0 0 30 22 1 0 0 0 0 31 23 1 0 0 0 0 32 24 1 0 0 0 0 33 25 1 0 0 0 0 34 31 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 1 1 0 0 0 0 43 2 1 0 0 0 0 43 26 1 0 0 0 0 43 29 1 0 0 0 0 44 3 1 0 0 0 0 44 4 1 0 0 0 0 44 28 1 0 0 0 0 45 5 1 0 0 0 0 45 13 1 0 0 0 0 45 26 1 0 0 0 0 45 27 1 0 0 0 0 46 6 1 0 0 0 0 46 15 1 0 0 0 0 46 27 1 0 0 0 0 47 7 1 0 0 0 0 47 14 1 0 0 0 0 47 30 1 0 0 0 0 47 46 1 0 0 0 0 48 8 1 0 0 0 0 48 16 1 0 0 0 0 48 21 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 22 1 0 0 0 0 53 28 1 0 0 0 0 54 31 1 0 0 0 0 55 32 1 0 0 0 0 56 33 1 0 0 0 0 57 34 1 0 0 0 0 58 35 1 0 0 0 0 59 36 1 0 0 0 0 60 37 1 0 0 0 0 61 38 1 0 0 0 0 62 44 1 0 0 0 0 63 23 1 0 0 0 0 63 40 1 0 0 0 0 64 24 1 0 0 0 0 64 41 1 0 0 0 0 65 25 1 0 0 0 0 65 42 1 0 0 0 0 66 29 1 0 0 0 0 66 42 1 0 0 0 0 67 39 1 0 0 0 0 67 40 1 0 0 0 0 68 41 1 0 0 0 0 68 48 1 0 0 0 0 M END > CHEM033925 > chemdb > CC(C)(O)C(O)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/C48H84O20/c1-43(2)26-10-15-46(6)27(45(26,5)13-12-29(43)66-42-39(36(59)33(56)25(20-51)65-42)67-40-37(60)34(57)31(54)23(18-49)63-40)17-22(52)30-21(9-14-47(30,46)7)48(8,16-11-28(53)44(3,4)62)68-41-38(61)35(58)32(55)24(19-50)64-41/h21-42,49-62H,9-20H2,1-8H3 > IXHBKLVSPJTPAA-UHFFFAOYSA-N > C48H84O20 > 981.1686 > 980.555595128 > 20 > 105.84842521420683 > 0 > 14 > 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)-5,6-dihydroxy-6-methylheptan-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol > -0.16 > -1.9210079426666686 > -2.86 > 1 > 7 > 0 > 12.313264759871124 > 11.847210195899308 > -3.6483775957536517 > 338.6000000000001 > 236.82340000000008 > 14 > 0 > 1.34e+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)-5,6-dihydroxy-6-methylheptan-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol > 0 > Vinaginsenoside R13 > 156398-72-0 $$$$