Mrv0541 02241209152D 44 50 0 0 0 0 999 V2000 1.9035 0.5407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8155 -0.2794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1014 0.1334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3872 -0.2794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3872 -1.1035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3309 -1.5177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3309 -0.6893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0478 -0.2752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0478 -1.1035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7605 -1.5149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7605 -2.3376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0478 -2.7491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3309 -2.3404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3817 -2.7518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0945 -2.3404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 -1.5149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8155 -1.1062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5983 -1.3622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0854 -0.6962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6011 -0.0275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8625 0.7623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2790 1.3470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4773 -2.7518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1943 -2.3376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1943 -1.5094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4773 -1.0952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6116 -0.0261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0283 0.5587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2371 0.3688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6537 0.9521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8862 1.7516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6829 1.9455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4875 2.7518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0547 1.1297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2663 1.3622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4878 2.1505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9069 -2.7491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6252 -2.3350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3366 -2.7464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0547 -2.3322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3366 -1.0952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6252 -1.5066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9069 -1.0980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9069 -0.2697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 17 1 0 0 0 0 2 20 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 16 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 13 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 23 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 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 21 22 1 0 0 0 0 21 30 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 37 1 0 0 0 0 25 26 1 0 0 0 0 25 43 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 35 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 32 35 1 0 0 0 0 32 36 1 0 0 0 0 34 35 1 0 0 0 0 35 36 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 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 M END > CHEM023629 > chemdb > CC(C1CCC2C3CC=C4CC(CC(O)C4(C)C3CCC12C)OC1OC(CO)C(O)C(O)C1O)C1CC2(C)OC2(C)C(=O)O1 > InChI=1S/C34H52O10/c1-16(23-14-32(3)34(5,44-32)30(40)43-23)20-8-9-21-19-7-6-17-12-18(41-29-28(39)27(38)26(37)24(15-35)42-29)13-25(36)33(17,4)22(19)10-11-31(20,21)2/h6,16,18-29,35-39H,7-15H2,1-5H3 > OVHWHMIFHTVFRU-UHFFFAOYSA-N > C34H52O10 > 620.7707 > 620.356047884 > 9 > 69.77872970660123 > 1 > 5 > 0 > 0 > 4-[1-(3-hydroxy-2,15-dimethyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-14-yl)ethyl]-1,6-dimethyl-3,7-dioxabicyclo[4.1.0]heptan-2-one > 1.99 > 1.643176371333333 > -4.08 > 0 > 7 > 0 > 13.183299831700275 > 12.208601296731985 > -2.9810835428924864 > 158.44 > 158.37030000000001 > 5 > 0 > 5.19e-02 g/l > 4-[1-(3-hydroxy-2,15-dimethyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-14-yl)ethyl]-1,6-dimethyl-3,7-dioxabicyclo[4.1.0]heptan-2-one > 0 > (1alpha,3beta,20S,22R,24S,25S)-Pubescenin > 100217-93-4 $$$$