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Chemical ID: 6918834
Chemical ID:
6918834
Name [?]:
None
SMILES [?]:
CCOC12C=C(CC(C3C(C(O1)C(=C2)C)OC(=O)C3=C)OC(=O)C(=C)C)C
InChi [?]:
InChI=1/C21H26O6/c1-7-24-21-9-12(4)8-15(25-19(22)11(2)3)16-14(6)20(23)26-18(16)17(27-21)13(5)10-21/h9-10,15-18H,2,6-8H2,1,3-5H3
InChi Info:
AuxInfo=1/0/N:1,25,26,27,15,20,2,7,5,14,24,6,13,19,8,9,11,10,22,17,4,23,18,3,21,16,12/rA:27cCCOCCCCCCCCOCCCOCOCCOCOCCCC/rB:s1;s2;s3;s4;w5;s6;s7;s8;s9;s10;s4s11;s11;s4d13;s13;s10;s16;d17;s9s17;d19;s8;s21;d22;s22;d24;s24;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H26O6 |
All Atoms: | 53 |
Heavy Atoms: | 27 |
Chiral Atoms: | 5 |
ZAP Information [?]
Total: | 8.8502 |
Area: | 532.487 |
Solvation: | -4.46198 |
Coulombic: | -58.4509 |
Bond Count [?]
All: | 29 |
Single: | 23 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 374.428 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 1.8 |
LogP (Chemaxon): | 3.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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