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Chemical ID: 4562585
Chemical ID:
4562585
Name [?]:
None
SMILES [?]:
CCCOc1ccc(cc1)COC2C(OC3C2OC4(O3)CCCCC4)C5COC6(O5)CCCCC6
InChi [?]:
InChI=1/C28H40O7/c1-2-17-29-21-11-9-20(10-12-21)18-30-24-23(22-19-31-27(33-22)13-5-3-6-14-27)32-26-25(24)34-28(35-26)15-7-4-8-16-28/h9-12,22-26H,2-8,13-19H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,33,23,32,34,22,24,7,9,6,10,31,35,21,25,3,11,27,8,5,26,14,13,17,16,29,19,4,12,28,15,30,18,20/E:(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/rA:35cCCCOCCCCCCCOCCOCCOCOCCCCCCCOCOCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;s12;s13;s14;s15;s13s16;s17;s18;s16s19;s19;s21;s22;s23;s19s24;s14;s26;s27;s28;s26s29;s29;s31;s32;s33;s29s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H40O7 |
All Atoms: | 35 |
Heavy Atoms: | 35 |
Chiral Atoms: | 5 |
ZAP Information [?]
Total: | 10.7011 |
Area: | 721.641 |
Solvation: | -7.33991 |
Coulombic: | -63.0928 |
Bond Count [?]
All: | 40 |
Single: | 37 |
Double: | 3 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 488.613 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 7 |
XLogP: | 5.09 |
LogP (Chemaxon): | 5.67 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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