Mrv0541 02241218032D 67 73 0 0 0 0 999 V2000 0.1636 5.0569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1636 4.2319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8772 3.8195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8772 2.9945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0646 3.1374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1623 1.1301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6228 0.8745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1067 1.5426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6228 2.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1623 1.9550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8772 2.3676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8772 3.1925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5907 1.9550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5907 1.1301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8772 0.7176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1623 0.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5907 -1.3446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5907 -0.5197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8772 -0.1072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3057 -0.1072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3057 0.7176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3057 1.5426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5921 5.0569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8772 5.4693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8772 6.2943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0193 1.1301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7342 0.7176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7342 -0.1072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4492 -0.5197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5500 -1.1522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0193 -0.5197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4899 -1.1522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5921 2.5821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3057 2.9945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3057 3.8195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0206 4.2319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7355 3.8195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7355 2.9945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0206 2.5821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0206 5.0569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7355 5.4693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4492 4.2319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4492 2.5821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0206 1.7571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8772 -1.7571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8772 -2.5821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1623 -2.9946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5526 -2.5821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5526 -1.7571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1623 -1.3446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5907 -2.9946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1623 -3.8195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2662 -2.9946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2662 -1.3446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9812 -1.7571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2662 -3.8195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5526 -4.2320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5526 -5.0569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2662 -5.4694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9812 -5.0569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9812 -4.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1623 -5.4694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1623 -6.2943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2662 -6.2943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6961 -5.4694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6961 -3.8195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2502 0.4152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 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 9 1 0 0 0 0 4 33 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 6 15 1 0 0 0 0 6 67 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 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 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 19 1 0 0 0 0 17 18 1 0 0 0 0 17 45 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 31 1 0 0 0 0 21 22 1 0 0 0 0 21 26 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 31 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 33 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 45 46 1 0 0 0 0 45 50 1 0 0 0 0 46 47 1 0 0 0 0 46 51 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 48 53 1 0 0 0 0 49 50 1 0 0 0 0 49 54 1 0 0 0 0 53 56 1 0 0 0 0 54 55 1 0 0 0 0 56 57 1 0 0 0 0 56 61 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 58 62 1 0 0 0 0 59 60 1 0 0 0 0 59 64 1 0 0 0 0 60 61 1 0 0 0 0 60 65 1 0 0 0 0 61 66 1 0 0 0 0 62 63 1 0 0 0 0 M END > CHEM033241 > chemdb > CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(CC21C)OC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O > InChI=1S/C48H82O19/c1-21(2)10-9-13-48(8,67-43-37(60)34(57)32(55)26(19-50)64-43)22-11-15-46(6)30(22)23(52)16-28-45(5)14-12-29(53)44(3,4)40(45)24(17-47(28,46)7)62-41-38(61)35(58)39(27(20-51)65-41)66-42-36(59)33(56)31(54)25(18-49)63-42/h10,22-43,49-61H,9,11-20H2,1-8H3 > XYDGLABNHGXTRN-UHFFFAOYSA-N > C48H82O19 > 963.1533 > 962.545030442 > 19 > 102.82735078771583 > 0 > 13 > 0 > 0 > 2-{[2-(8-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5,16-dihydroxy-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 > 0.21 > -1.0893339289999995 > -2.89 > 1 > 7 > 0 > 12.200118858283378 > 11.755141719748947 > -3.6483775752014047 > 318.37 > 236.0683000000001 > 13 > 0 > 1.23e+00 g/l > 2-{[2-(8-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5,16-dihydroxy-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 > Notoginsenoside N > 350586-56-0 $$$$