Mrv0541 02241209022D 66 72 0 0 0 0 999 V2000 -3.5872 -0.5725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5872 -1.3982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8729 -1.8111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1600 -1.3982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1600 -0.5725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8729 -0.1610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4458 -1.8111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7328 -1.3982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7328 -0.5725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4458 -0.1610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0214 -0.1610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0214 0.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7328 1.0706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4458 0.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7590 -0.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2393 0.2503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7590 0.9124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7590 1.7381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4732 2.1496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1875 1.7381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9018 2.1496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6162 1.7381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3304 2.1496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6162 0.9124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0447 2.1496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7590 2.5639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5448 1.1670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0214 -0.9868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7328 1.8964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7328 0.2503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1600 0.2503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2857 -2.5254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4614 -2.5254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3304 -1.8111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9723 3.3621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7746 3.5631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0003 4.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4251 4.9503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6228 4.7495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3943 3.9539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4068 3.7517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0447 5.3425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6507 5.7444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8014 4.5581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3753 3.9650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2049 3.5384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6178 4.2540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4449 4.2540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8591 3.5384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4449 2.8213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6178 2.8213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2049 2.1070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8591 2.1070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6849 3.5384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8591 4.9697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4449 5.6853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2365 -2.5227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0522 -3.3279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6467 -3.8962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4622 -4.6999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6710 -4.9435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0627 -4.3724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2540 -3.5659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3488 -3.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7272 -4.6104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4797 -5.7444 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 34 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 3 33 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 31 1 0 0 0 0 7 8 1 0 0 0 0 7 57 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 30 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 29 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 17 27 1 0 0 0 0 18 19 1 0 0 0 0 18 25 1 0 0 0 0 18 26 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 26 35 1 0 0 0 0 35 36 1 0 0 0 0 35 40 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 43 1 0 0 0 0 39 40 1 0 0 0 0 39 42 1 0 0 0 0 40 41 1 0 0 0 0 41 46 1 0 0 0 0 44 45 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 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 55 56 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 58 63 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 61 66 1 0 0 0 0 62 63 1 0 0 0 0 62 65 1 0 0 0 0 63 64 1 0 0 0 0 M END > CHEM029258 > chemdb > CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)C1(O)CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(CC21C)OC1OCC(O)C(O)C1O > InChI=1S/C47H80O19/c1-21(2)10-9-12-46(8,66-41-36(33(57)31(55)26(19-49)64-41)65-40-35(59)32(56)30(54)25(18-48)63-40)47(60)15-14-44(6)37(47)22(50)16-27-43(5)13-11-28(52)42(3,4)38(43)24(17-45(27,44)7)62-39-34(58)29(53)23(51)20-61-39/h10,22-41,48-60H,9,11-20H2,1-8H3 > CXXVAICRCFBOHJ-UHFFFAOYSA-N > C47H80O19 > 949.1267 > 948.529380378 > 19 > 101.44472506150238 > 0 > 13 > 0 > 0 > 2-{[4,5-dihydroxy-6-(hydroxymethyl)-2-[(6-methyl-2-{5,14,16-trihydroxy-2,6,6,10,11-pentamethyl-8-[(3,4,5-trihydroxyoxan-2-yl)oxy]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl}hept-5-en-2-yl)oxy]oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol > -0.08 > -1.4987882950000002 > -2.60 > 1 > 7 > 0 > 12.333149547351049 > 11.861674202105437 > -3.526580621429927 > 318.37 > 231.4581000000001 > 12 > 0 > 2.39e+00 g/l > 2-{[4,5-dihydroxy-6-(hydroxymethyl)-2-[(6-methyl-2-{5,14,16-trihydroxy-2,6,6,10,11-pentamethyl-8-[(3,4,5-trihydroxyoxan-2-yl)oxy]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl}hept-5-en-2-yl)oxy]oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol > 0 > (3b,6a,12b,17a,20S)-Dammar-24-ene-3,6,12,17,20-pentol 20-[glucosyl-(1->2)-glucoside] 6-xyloside > 251101-57-2 $$$$