Mrv0541 02241207442D 66 72 0 0 0 0 999 V2000 -3.6077 -0.5316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6077 -1.3579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8943 -1.7711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1808 -1.3579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1808 -0.5316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8943 -0.1211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4660 -1.7711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7527 -1.3579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7527 -0.5316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4660 -0.1211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0420 -0.1211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0420 0.7010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7527 1.1072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4660 0.7010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7389 -0.3732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2140 0.2920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7389 0.9489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3075 -2.4886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4811 -2.4886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7389 1.7752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3252 -1.7711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1808 0.2920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7527 0.2920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7857 1.9336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0214 2.1884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7389 2.6016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4660 -2.5975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0420 -0.9475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4551 2.1884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1726 1.7752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8901 2.1884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6077 1.7752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3252 2.1884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6077 0.9489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3252 1.3621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4660 -3.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1808 -3.8342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1808 -4.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4660 -5.0765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7527 -4.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7527 -3.8342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8943 -5.0765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6077 -4.6606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4660 -5.9029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0337 -5.0765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0337 -3.4239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7912 -3.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2140 -4.1289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0390 -4.1289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4411 -3.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0390 -2.7132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2140 -2.7132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2675 -3.4239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4549 -4.8424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8064 -4.8424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7389 3.4279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4551 3.8453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4551 4.6703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7389 5.0765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0214 4.6703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0214 3.8453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1726 5.0848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8818 4.6703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7389 5.9029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6878 5.0848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6878 3.4279 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 21 1 0 0 0 0 3 4 1 0 0 0 0 3 18 1 0 0 0 0 3 19 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 22 1 0 0 0 0 7 8 1 0 0 0 0 7 27 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 23 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 28 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 24 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 25 1 0 0 0 0 20 26 1 0 0 0 0 20 29 1 0 0 0 0 26 56 1 0 0 0 0 27 36 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 32 35 1 0 0 0 0 36 37 1 0 0 0 0 36 41 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 38 42 1 0 0 0 0 39 40 1 0 0 0 0 39 44 1 0 0 0 0 40 41 1 0 0 0 0 40 45 1 0 0 0 0 41 46 1 0 0 0 0 42 43 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 48 55 1 0 0 0 0 49 50 1 0 0 0 0 49 54 1 0 0 0 0 50 51 1 0 0 0 0 50 53 1 0 0 0 0 51 52 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 > CHEM026856 > chemdb > CC(C)(O)\C=C\CC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(CC21C)OC1OC(CO)C(O)C(O)C1OC1OCC(O)C(O)C1O > InChI=1S/C47H80O19/c1-42(2,60)12-9-13-47(8,66-40-36(59)33(56)31(54)25(18-48)63-40)21-10-15-45(6)29(21)22(50)16-27-44(5)14-11-28(52)43(3,4)38(44)24(17-46(27,45)7)62-41-37(34(57)32(55)26(19-49)64-41)65-39-35(58)30(53)23(51)20-61-39/h9,12,21-41,48-60H,10-11,13-20H2,1-8H3/b12-9+ > BIRZHRCAUBJIEK-FMIVXFBMSA-N > C47H80O19 > 949.1267 > 948.529380378 > 19 > 101.54653452817213 > 0 > 13 > 0 > 0 > 2-{[(4E)-2-(8-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxyoxan-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-hydroxy-6-methylhept-4-en-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol > -0.38 > -1.7305483873333347 > -2.86 > 1 > 7 > 0 > 12.33299542195974 > 11.861491248987333 > -3.5265806826167294 > 318.37 > 232.05450000000008 > 12 > 0 > 1.30e+00 g/l > 2-{[(4E)-2-(8-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxyoxan-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-hydroxy-6-methylhept-4-en-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol > 0 > Notoginsenoside H > 193976-69-1 $$$$