Chemical ID: 7647814

CC=C(C)C(=O)OC(COc1c2ccc(=O)oc2cc3c1cco3)C(C)(C)O
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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