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Chemical ID: 7630226
Chemical ID:
7630226
Name [?]:
None
SMILES [?]:
CC1=CC2C(CC1)C(OC3=C2C(=O)c4cc(cc(c4C3=O)OC)OC)(C)C
InChi [?]:
InChI=1/C22H24O5/c1-11-6-7-15-13(8-11)18-19(23)14-9-12(25-4)10-16(26-5)17(14)20(24)21(18)27-22(15,2)3/h8-10,13,15H,6-7H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,26,27,25,23,7,6,3,15,17,2,16,4,14,5,18,19,11,12,20,10,8,13,21,24,22,9/E:(2,3)/rA:27cCCCCCCCCOCCCOCCCCCCCOOCOCCC/rB:s1;d2;s3;s4;s5;s2s6;s5;s8;s9;s4d10;s11;d12;s12;s14;d15;s16;d17;d14s18;s10s19;d20;s18;s22;s16;s24;s8;s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H24O5 |
All Atoms: | 51 |
Heavy Atoms: | 27 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 6.81036 |
Area: | 535.629 |
Solvation: | -6.58036 |
Coulombic: | -36.851 |
Bond Count [?]
All: | 30 |
Single: | 23 |
Double: | 7 |
Rotors: | 2 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.76 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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