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Chemical ID: 7647814
Chemical ID:
7647814
Name [?]:
None
SMILES [?]:
CC=C(C)C(=O)OC(COc1c2ccc(=O)oc2cc3c1cco3)C(C)(C)O
InChi [?]:
InChI=1/C21H22O7/c1-5-12(2)20(23)28-17(21(3,4)24)11-26-19-13-6-7-18(22)27-16(13)10-15-14(19)8-9-25-15/h5-10,17,24H,11H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,4,26,27,2,13,14,22,23,19,9,3,12,21,20,18,8,15,11,5,25,16,6,28,24,10,17,7/E:(3,4)/rA:28cCCCCCOOCCOCCCCCOOCCCCCCOCCCO/rB:s1;w2;s3;s3;d5;s5;s7;s8;s9;s10;s11;s12;d13;s14;d15;s15;d12s17;s18;d19;d11s20;s21;d22;s20s23;s8;s25;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H22O7 |
All Atoms: | 50 |
Heavy Atoms: | 28 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.16441 |
Area: | 570.514 |
Solvation: | -6.09845 |
Coulombic: | -69.3928 |
Bond Count [?]
All: | 30 |
Single: | 22 |
Double: | 8 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.93 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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