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Chemical ID: 4927931
Chemical ID:
4927931
Name [?]:
None
SMILES [?]:
CC1C(=O)OC(C2C1(C3(CCCC(C3(C2OC(=O)C)O)(C)C(=O)OC)C)O)c4ccoc4
InChi [?]:
InChI=1/C23H30O9/c1-12-18(25)32-16(14-7-10-30-11-14)15-17(31-13(2)24)23(28)20(3,19(26)29-5)8-6-9-21(23,4)22(12,15)27/h7,10-12,15-17,27-28H,6,8-9H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,19,21,26,25,11,29,12,10,30,32,2,17,28,7,6,15,3,22,13,9,8,14,18,4,23,27,20,24,31,16,5/rA:32cCCCOOCCCCCCCCCCOCOCOCCOOCCOCCCOC/rB:s1;s2;d3;s3;s5;s6;s2s7;s8;s9;s10;s11;s12;s9s13;s7s14;s15;s16;d17;s17;s14;s13;s13;d22;s22;s24;s9;s8;s6;s28;d29;s30;d28s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H30O9 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 8 |
ZAP Information [?]
Total: | 7.5181 |
Area: | 533.341 |
Solvation: | -5.81543 |
Coulombic: | -94.0783 |
Bond Count [?]
All: | 35 |
Single: | 30 |
Double: | 5 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 450.479 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 8 |
XLogP: | 1.37 |
LogP (Chemaxon): | 1.78 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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