Mrv0541 01081410182D 67 73 0 0 0 0 999 V2000 13.6250 -22.8500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6250 -23.6750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3370 -24.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3370 -22.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0490 -22.8500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0501 -23.6750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7611 -24.0843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4757 -23.6732 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7590 -22.4343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4766 -22.8488 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.4753 -21.1944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7553 -21.6079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1929 -21.6089 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1872 -22.4375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.8980 -22.8544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6190 -22.4473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9093 -21.1972 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.6198 -21.6186 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.2401 -21.0731 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9130 -20.3145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0906 -20.3913 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3368 -24.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6167 -24.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0458 -24.4958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0417 -22.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4708 -22.0208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1792 -23.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1875 -20.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9042 -22.0208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0450 -21.2541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2907 -22.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6042 -20.6475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9111 -24.0885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1961 -23.6771 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1925 -22.8534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4816 -22.4420 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7653 -22.8520 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7645 -23.6780 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4800 -24.0939 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4803 -24.9189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0492 -24.0891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0517 -22.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4835 -21.6170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1917 -24.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5458 -19.7718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1896 -24.0866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3292 -22.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3283 -22.8542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0423 -23.2675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0414 -24.0925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7572 -22.8557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9093 -22.4396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9069 -21.6146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6202 -21.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7700 -21.2028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7719 -20.3778 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4870 -19.9708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4909 -19.1494 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7792 -18.7314 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0620 -19.1410 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0564 -19.9686 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3414 -20.3801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3499 -18.7244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7843 -17.9064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2079 -18.7413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9198 -19.1582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1912 -21.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 30 32 1 0 0 0 0 5 9 1 0 0 0 0 2 33 1 1 0 0 0 13 17 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 18 1 0 0 0 0 17 18 1 0 0 0 0 6 7 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 37 38 1 0 0 0 0 38 39 1 0 0 0 0 7 8 1 0 0 0 0 39 40 1 6 0 0 0 8 10 1 0 0 0 0 38 41 1 1 0 0 0 9 10 1 0 0 0 0 37 42 1 6 0 0 0 3 6 1 0 0 0 0 36 43 1 1 0 0 0 18 19 1 0 0 0 0 34 44 1 6 0 0 0 19 20 1 0 0 0 0 21 45 1 6 0 0 0 20 21 1 0 0 0 0 8 46 1 1 0 0 0 21 17 1 0 0 0 0 18 47 1 1 0 0 0 5 4 1 0 0 0 0 47 48 1 0 0 0 0 3 22 1 0 0 0 0 48 49 1 0 0 0 0 5 6 1 0 0 0 0 49 50 2 0 0 0 0 3 23 1 0 0 0 0 49 51 1 0 0 0 0 1 52 1 6 0 0 0 6 24 1 6 0 0 0 52 53 1 0 0 0 0 9 12 2 0 0 0 0 53 54 1 0 0 0 0 5 25 1 1 0 0 0 43 55 1 0 0 0 0 10 14 1 0 0 0 0 56 55 1 1 0 0 0 56 57 1 0 0 0 0 10 26 1 1 0 0 0 13 11 1 0 0 0 0 14 27 1 6 0 0 0 11 12 1 0 0 0 0 13 28 1 1 0 0 0 56 61 1 0 0 0 0 57 58 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 13 14 1 0 0 0 0 61 62 1 6 0 0 0 17 29 1 6 0 0 0 60 63 1 1 0 0 0 1 2 1 0 0 0 0 59 64 1 6 0 0 0 19 30 1 1 0 0 0 58 65 1 1 0 0 0 1 4 1 0 0 0 0 65 66 1 0 0 0 0 30 31 1 0 0 0 0 53 67 2 0 0 0 0 M END > CHEBI:69509 > 2alpha-acetoxy-28-acetylrubiarboside G > A triterpenoid saponin with an arborinane-type terpenoid as the aglycone. It has been isolated from the roots of Rubia yunnanensis. > 3 > 2alpha,28-diacetoxy-3beta,7beta,19alpha-trihydroxyarbor-9(11)-en-3-O-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranoside > [(1R,3S,3aR,5aS,5bS,6S,7aR,9R,10R,11aS,13aR,13bR)-10-(acetyloxy)-9-{[6-O-(beta-D-glucopyranosyl)-beta-D-glucopyranosyl]oxy}-1,6-dihydroxy-5a,8,8,11a,13a-pentamethyl-3-(propan-2-yl)-1,2,3,4,5,5a,5b,6,7,7a,8,9,10,11,11a,13,13a,13b-octadecahydro-3aH-cyclopenta[a]chrysen-3a-yl]methyl acetate > C46H74O17 > 899.06960 > 898.49260 > 0 > CC(C)[C@@H]1C[C@@H](O)[C@H]2[C@@]1(COC(C)=O)CC[C@@]1(C)[C@@H]3[C@@H](O)C[C@H]4C(C)(C)[C@@H](O[C@@H]5O[C@H](CO[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](C[C@]4(C)C3=CC[C@]21C)OC(C)=O > InChI=1S/C46H74O17/c1-20(2)24-14-26(51)38-45(9)11-10-23-31(44(45,8)12-13-46(24,38)19-59-21(3)48)25(50)15-30-42(5,6)39(27(60-22(4)49)16-43(23,30)7)63-41-37(57)35(55)33(53)29(62-41)18-58-40-36(56)34(54)32(52)28(17-47)61-40/h10,20,24-41,47,50-57H,11-19H2,1-9H3/t24-,25-,26+,27+,28+,29+,30-,31-,32+,33+,34-,35-,36+,37+,38+,39-,40+,41-,43+,44-,45+,46+/m0/s1 > AOBLQNHRIORKQD-OWMKJQNQSA-N > 22020827 > 21973054 $$$$