Mrv0541 05061307322D 62 69 0 0 0 0 999 V2000 4.7648 5.9121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8256 2.7425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5074 2.0401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6555 3.9323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0373 2.9732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5214 2.5711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5693 4.4966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7313 1.4116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0484 0.9486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8802 3.7324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8971 2.2807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 2.7164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7092 2.4259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1456 2.8616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1486 0.8741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3047 0.5338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6983 4.1728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0757 5.1479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0083 2.8554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9756 1.4094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3446 4.6965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6168 1.5048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5850 1.3097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5020 2.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3971 1.4549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0532 1.9404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9608 1.0193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4926 0.3886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6974 3.6196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9786 3.3969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2559 0.6335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8510 5.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7908 3.2517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7241 0.0028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5401 6.1120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0711 2.4758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9120 0.1480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7229 6.2249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5392 1.8451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8929 5.0351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6317 0.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2165 5.5736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7271 1.9903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6774 2.2309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2411 1.7952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1138 4.3180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2123 -0.3873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0680 0.4883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6682 5.2350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3226 3.8824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0044 -0.7731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0465 6.7634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8832 2.3306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3801 -0.4827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4120 6.9891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1635 1.5546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5274 4.8094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1953 1.3596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2038 4.2709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4468 2.7662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8195 1.0691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3993 5.6864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9 8 1 0 0 0 0 10 7 1 0 0 0 0 13 11 1 0 0 0 0 14 12 1 0 0 0 0 18 1 1 0 0 0 0 18 7 1 0 0 0 0 19 2 1 0 0 0 0 20 3 1 0 0 0 0 21 4 1 0 0 0 0 22 11 1 0 0 0 0 22 15 1 0 0 0 0 23 16 2 0 0 0 0 24 8 1 0 0 0 0 24 19 1 0 0 0 0 25 9 1 0 0 0 0 25 23 1 0 0 0 0 26 12 1 0 0 0 0 26 23 1 0 0 0 0 27 15 1 0 0 0 0 28 16 1 0 0 0 0 28 27 1 0 0 0 0 29 10 1 0 0 0 0 29 19 1 0 0 0 0 30 17 1 0 0 0 0 31 20 1 0 0 0 0 32 21 1 0 0 0 0 33 30 1 0 0 0 0 34 31 1 0 0 0 0 35 32 1 0 0 0 0 36 33 1 0 0 0 0 37 34 1 0 0 0 0 38 35 1 0 0 0 0 39 36 1 0 0 0 0 40 18 1 0 0 0 0 41 37 1 0 0 0 0 42 38 1 0 0 0 0 43 39 1 0 0 0 0 44 5 1 0 0 0 0 44 14 1 0 0 0 0 44 24 1 0 0 0 0 44 25 1 0 0 0 0 45 6 1 0 0 0 0 45 13 1 0 0 0 0 45 26 1 0 0 0 0 45 27 1 0 0 0 0 46 17 1 0 0 0 0 47 28 2 0 0 0 0 48 31 1 0 0 0 0 49 32 1 0 0 0 0 50 33 1 0 0 0 0 51 34 1 0 0 0 0 52 35 1 0 0 0 0 53 36 1 0 0 0 0 54 37 1 0 0 0 0 55 38 1 0 0 0 0 56 20 1 0 0 0 0 56 41 1 0 0 0 0 57 21 1 0 0 0 0 57 42 1 0 0 0 0 58 22 1 0 0 0 0 58 43 1 0 0 0 0 59 29 1 0 0 0 0 59 40 1 0 0 0 0 60 30 1 0 0 0 0 60 43 1 0 0 0 0 61 39 1 0 0 0 0 61 41 1 0 0 0 0 62 40 1 0 0 0 0 62 42 1 0 0 0 0 M END > CHEM028165 > chemdb > CC(C1CCC2C3=CC(=O)C4CC(CCC4(C)C3CCC12C)OC1OC(CO)C(O)C(O)C1OC1OC(C)C(O)C(O)C1O)C1CCC(C)C(OC2OC(C)C(O)C(O)C2O)O1 > InChI=1S/C45H72O17/c1-18-7-10-29(59-40(18)62-42-38(55)35(52)32(49)21(4)57-42)19(2)24-8-9-25-23-16-28(47)27-15-22(11-13-45(27,6)26(23)12-14-44(24,25)5)58-43-39(36(53)33(50)30(17-46)60-43)61-41-37(54)34(51)31(48)20(3)56-41/h16,18-22,24-27,29-43,46,48-55H,7-15,17H2,1-6H3 > OFFJUHSISSNBNT-UHFFFAOYSA-N > C45H72O17 > 885.043 > 884.476950878 > 17 > 95.95176425839425 > 0 > 9 > 0 > 0 > 5-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-2,15-dimethyl-14-(1-{5-methyl-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}ethyl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-9-en-8-one > 0.26 > 1.3463358439999995 > -3.42 > 1 > 8 > 0 > 12.326073873398443 > 11.856122845726066 > -3.6121826294395536 > 263.74999999999994 > 216.43220000000008 > 9 > 0 > 3.39e-01 g/l > 5-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-2,15-dimethyl-14-(1-{5-methyl-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}ethyl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-9-en-8-one > 0 > Polypodoside A > 119784-25-7 $$$$