Mrv0541 02241215302D 55 60 0 0 0 0 999 V2000 4.7699 3.6571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5280 2.8678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0903 2.2643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8483 1.4765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6374 1.2359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9698 -1.1467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7567 -0.3493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5417 -0.5651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0284 0.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5693 0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6990 0.4867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0597 0.8853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3516 0.5100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3255 -0.3012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0184 -0.7411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7155 -1.1755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0899 1.7350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9895 -1.5631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2596 -1.9509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5597 -1.5136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5900 -0.6916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6202 0.1361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0605 1.7172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4019 4.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2062 4.2606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4468 5.0483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8875 -0.2531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1616 -0.6393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1314 -1.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5959 -1.8504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2957 -1.4133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2668 -0.5899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9667 -0.1526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9378 0.6723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6375 1.1094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1110 -4.2743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8108 -3.8370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5380 -4.2234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5669 -5.0483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6374 -2.9119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9088 -2.5255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2089 -2.9627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4803 -2.5750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7805 -3.0122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0532 -2.6246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0244 -1.8009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7241 -1.3638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6939 -0.5390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3937 -0.1018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2378 -3.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9651 -4.1739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4515 -1.7501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2799 -2.5132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8311 -1.9013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3397 -2.5502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 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 23 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 54 1 0 0 0 0 21 22 1 0 0 0 0 21 27 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 54 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 31 46 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 33 48 1 0 0 0 0 34 35 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 37 44 1 0 0 0 0 38 39 1 0 0 0 0 38 50 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 42 50 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 47 48 1 0 0 0 0 47 52 1 0 0 0 0 48 49 1 0 0 0 0 50 51 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 M END > CHEM032873 > chemdb > CC(C)=CCCC(C)(O)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/C42H72O13/c1-21(2)10-9-14-42(8,51)22-11-16-41(7)29(22)23(45)18-27-39(5)15-13-28(38(3,4)26(39)12-17-40(27,41)6)54-37-35(33(49)31(47)25(20-44)53-37)55-36-34(50)32(48)30(46)24(19-43)52-36/h10,22-37,43-51H,9,11-20H2,1-8H3 > RWXIFXNRCLMQCD-UHFFFAOYSA-N > C42H72O13 > 785.0133 > 784.49729239 > 13 > 88.70806152297116 > 0 > 9 > 0 > 0 > 2-[(4,5-dihydroxy-2-{[16-hydroxy-14-(2-hydroxy-6-methylhept-5-en-2-yl)-2,6,6,10,11-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-5-yl]oxy}-6-(hydroxymethyl)oxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol > 2.27 > 1.9902665136666664 > -3.90 > 1 > 6 > 0 > 12.69780834369239 > 12.088937100618223 > -2.9011008357131507 > 218.98999999999995 > 202.06250000000006 > 10 > 0 > 9.90e-02 g/l > 2-[(4,5-dihydroxy-2-{[16-hydroxy-14-(2-hydroxy-6-methylhept-5-en-2-yl)-2,6,6,10,11-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-5-yl]oxy}-6-(hydroxymethyl)oxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol > 0 > Ginsenoside Rg3 > 14197-60-5 > (20R)-Ginsenoside Rg3 $$$$