108130 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 8 8 8 8 8 8 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 4 4 5 5 6 6 7 7 7 7 8 8 8 9 9 9 10 10 10 11 11 12 12 13 13 14 15 15 15 16 16 16 17 17 18 19 19 20 21 23 25 25 26 26 26 27 27 27 28 28 28 29 29 29 21 25 22 25 18 26 20 27 23 28 24 29 8 9 15 30 10 16 31 11 32 33 12 34 35 13 17 14 19 14 18 20 36 37 38 39 40 41 21 42 22 23 43 24 22 24 44 45 46 47 48 49 50 51 52 53 54 55 56 57 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7 8 9 15 30 3 1 8 7 10 16 31 3 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 8.65 7.1011 5.4506 4.8576 2.3791 3.163 7.2714 6.3476 7.6541 5.4237 7.2714 5.041 6.3476 5.4237 7.9786 6.3476 8.1075 6.1957 4.0105 4.8024 7.9795 7.0172 3.37 3.7687 8.1082 5.6558 4.0205 2 2.171 7.8795 6.8631 8.146 8.146 5.3428 4.809 8.417 8.417 7.5402 6.9676 6.3476 5.7276 8.6775 3.7799 7.9014 8.6677 5.049 5.783 6.2626 3.6813 3.5015 4.3597 2.5737 1.765 1.4263 2.2496 1.556 2.0925 -2.3961 -3.0376 -2.0321 -1.7865 0.4367 -1.4557 1.8958 2.2785 0.9719 1.8958 0.0481 0.9719 -0.3346 0.0481 2.6029 3.2785 -0.5732 -1.3651 1.1238 -0.788 -1.607 -2.0056 0.3023 -0.66 -3.2785 -3.0109 -2.3335 1.362 -1.329 1.7749 2.623 0.5945 1.3494 2.5105 1.9767 2.1645 3.0413 3.0413 3.2785 3.8985 3.2785 -0.3294 1.6993 -3.863 -3.5456 -3.1381 -3.6177 -2.8837 -1.8146 -2.6727 -2.8525 1.5971 1.9357 1.127 -0.714 -1.2504 -1.944 3 3 8 8 8 8 8 8 8 8 8 8 8 8 7 8 11 11 12 12 13 14 17 18 19 20 21 23 15 16 13 17 14 19 18 20 21 22 23 24 22 24 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 544 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E0783800000000000000000000000000000120000000306000000000180048014000001A00000000000D04809803320E800004008002204200000208002020000088000688881D272284311AA0302225C0150EA807C0E0FC0EA0000108001840004000021000308000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaene IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaene IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0<SUP>2,7</SUP>.0<SUP>14,18</SUP>]nonadeca-1(19),2,4,6,12,14(18)-hexaene IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaene IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaene IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaene InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C23H28O6/c1-12-7-14-9-16(24-3)20(25-4)22(26-5)18(14)19-15(8-13(12)2)10-17-21(23(19)27-6)29-11-28-17/h9-10,12-13H,7-8,11H2,1-6H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 RTZKSTLPRTWFEV-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 5.1 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 400.18858861 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C23H28O6 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 400.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1CC2=CC3=C(C(=C2C4=C(C(=C(C=C4CC1C)OC)OC)OC)OC)OCO3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1CC2=CC3=C(C(=C2C4=C(C(=C(C=C4CC1C)OC)OC)OC)OC)OCO3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 55.4 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 400.18858861 29 2 0 2 0 0 0 0 1 -1