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Chemical ID: 3966810
Chemical ID:
3966810
Name [?]:
7-(8-formyl-1,6,7-trihydroxy-5-isopropyl-3-methyl-2-naphthyl)-2,3,8-trihydroxy-4-isopropyl-6-methyl-naphthalene-1-carbaldehyde
SMILES [?]:
Cc1cc2c(c(c(c(c2C(C)C)O)O)C=O)c(c1c3c(cc4c(c3O)c(c(c(c4C(C)C)O)O)C=O)C)O
InChi [?]:
InChI=1/C30H30O8/c1-11(2)19-15-7-13(5)21(27(35)23(15)17(9-31)25(33)29(19)37)22-14(6)8-16-20(12(3)4)30(38)26(34)18(10-32)24(16)28(22)36/h7-12,33-38H,1-6H3
InChi Info:
AuxInfo=1/0/N:11,12,31,32,1,37,3,21,15,35,10,30,2,20,4,22,6,26,9,29,18,19,5,23,7,27,17,24,8,28,16,36,14,34,38,25,13,33/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)/rA:38nCCCCCCCCCCCCOOCOCCCCCCCCOCCCCCCCOOCOCO/rB:s1;s2;d3;s4;s5;d6;s7;s4d8;s9;s10;s10;s8;s7;s6;d15;d5;d2s17;s18;s19;d20;s21;s22;d19s23;s24;d23;s26;d27;d22s28;s29;s30;s30;s28;s27;s26;d35;s20;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H30O8 |
All Atoms: | 38 |
Heavy Atoms: | 38 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.25175 |
Area: | 705.615 |
Solvation: | -9.38863 |
Coulombic: | -109.385 |
Bond Count [?]
All: | 41 |
Single: | 29 |
Double: | 12 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 518.554 |
H-Bond Donors: | 6 |
H-Bond Acceptors: | 8 |
XLogP: | 3.77 |
LogP (Chemaxon): | 8.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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