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Chemical ID: 5257424
Chemical ID:
5257424
Name [?]:
None
SMILES [?]:
CC(=O)OC1CC(C2(CCC3C(=O)OC(CC3(C2C1=O)C)c4ccoc4)C)C(=O)OC
InChi [?]:
InChI=1/C23H28O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,27,21,31,10,23,9,24,6,16,26,2,22,11,7,5,15,19,18,28,12,8,17,3,20,29,13,30,25,4,14/rA:31cCCOOCCCCCCCCOOCCCCCOCCCCOCCCOOC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s10;s11;d12;s12;s14;s15;s11s16;s8s17;s5s18;d19;s17;s15;s22;d23;s24;d22s25;s8;s7;d28;s28;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H28O8 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 7 |
ZAP Information [?]
Total: | 7.59694 |
Area: | 603.296 |
Solvation: | -7.48545 |
Coulombic: | -65.7838 |
Bond Count [?]
All: | 34 |
Single: | 28 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 432.464 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 7 |
XLogP: | 2.26 |
LogP (Chemaxon): | 2.73 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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