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Chemical ID: 7629326
Chemical ID:
7629326
Name [?]:
None
SMILES [?]:
CC(=O)OC1CC2(C(CCC2O)C3=C1C4(c5c(coc5C3=O)C(=O)OC4COC)C)C
InChi [?]:
InChI=1/C23H26O8/c1-10(24)30-13-7-22(2)12(5-6-14(22)25)16-18(13)23(3)15(9-28-4)31-21(27)11-8-29-20(17(11)23)19(16)26/h8,12-15,25H,5-7,9H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,31,30,29,9,10,6,18,27,2,17,8,5,11,26,13,16,14,21,20,23,7,15,3,12,22,24,28,19,4,25/rA:31cCCOOCCCCCCCOCCCCCCOCCOCOOCCOCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s7s10;s11;s8;s5d13;s14;s15;s16;d17;s18;d16s19;s13s20;d21;s17;d23;s23;s15s25;s26;s27;s28;s15;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H26O8 |
All Atoms: | 57 |
Heavy Atoms: | 31 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 6.71735 |
Area: | 558.929 |
Solvation: | -7.25588 |
Coulombic: | -75.9145 |
Bond Count [?]
All: | 35 |
Single: | 29 |
Double: | 6 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 0.69 |
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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