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Chemical ID: 4562486
Chemical ID:
4562486
Name [?]:
1-isopropyl-6-(5-isopropyl-1,6,7-trimethoxy-3-methyl-2-naphthyl)-2,3,5-trimethoxy-7-methyl-naphthalene
SMILES [?]:
Cc1cc2c(cc(c(c2C(C)C)OC)OC)c(c1c3c(cc4c(c3OC)cc(c(c4C(C)C)OC)OC)C)OC
InChi [?]:
InChI=1/C34H42O6/c1-17(2)27-21-13-19(5)29(31(37-9)23(21)15-25(35-7)33(27)39-11)30-20(6)14-22-24(32(30)38-10)16-26(36-8)34(40-12)28(22)18(3)4/h13-18H,1-12H3
InChi Info:
AuxInfo=1/0/N:11,12,32,33,1,38,16,37,40,26,14,35,3,21,6,27,10,31,2,20,4,22,5,23,7,28,9,30,18,19,17,24,8,29,15,36,39,25,13,34/E:(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)/rA:40nCCCCCCCCCCCCOCOCCCCCCCCCOCCCCCCCCOCOCCOC/rB:s1;s2;d3;s4;s5;d6;s7;s4d8;s9;s10;s10;s8;s13;s7;s15;d5;d2s17;s18;s19;d20;s21;s22;d19s23;s24;s25;d23;s27;d28;d22s29;s30;s31;s31;s29;s34;s28;s36;s20;s17;s39;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C34H42O6 |
All Atoms: | 40 |
Heavy Atoms: | 40 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1232 |
Area: | 750.882 |
Solvation: | -8.6488 |
Coulombic: | -46.6591 |
Bond Count [?]
All: | 43 |
Single: | 33 |
Double: | 10 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 546.694 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 8.71 |
LogP (Chemaxon): | 7.54 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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