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Chemical ID: 6694240
Chemical ID:
6694240
Name [?]:
None
SMILES [?]:
CC1C(C2(C(C2(C)C)C3C1(C4C=C(C(=O)C4(CC(=C3)COC(=O)C)O)C)O)OC(=O)C)OC(=O)C
InChi [?]:
InChI=1/C26H34O9/c1-12-8-19-24(31,21(12)30)10-17(11-33-14(3)27)9-18-20-23(6,7)26(20,35-16(5)29)22(34-15(4)28)13(2)25(18,19)32/h8-9,13,18-20,22,31-32H,10-11H2,1-7H3
InChi Info:
AuxInfo=1/0/N:26,1,24,35,31,7,8,12,19,17,20,13,2,22,33,29,18,9,11,5,14,3,6,16,10,4,23,34,30,15,25,27,21,32,28/E:(6,7)/rA:35cCCCCCCCCCCCCCCOCCCCCOCOCOCOOCOCOCOC/rB:s1;s2;s3;s4;s4s5;s6;s6;s5;s2s9;s10;s11;d12;s13;d14;s11s14;s16;s17;s9d18;s18;s20;s21;d22;s22;s16;s13;s10;s4;s28;d29;s29;s3;s32;d33;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H34O9 |
All Atoms: | 35 |
Heavy Atoms: | 35 |
Chiral Atoms: | 8 |
ZAP Information [?]
Total: | 10.2105 |
Area: | 670.648 |
Solvation: | -6.55574 |
Coulombic: | -96.1836 |
Bond Count [?]
All: | 38 |
Single: | 32 |
Double: | 6 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 490.543 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 9 |
XLogP: | 0.66 |
LogP (Chemaxon): | 0.57 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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