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Chemical ID: 6691819
Chemical ID:
6691819
Name [?]:
None
SMILES [?]:
CC1=CC2C(CC1OC(=O)CC(C)C)(C3(C(C(C(C34CO4)O2)O)OC(=O)C)C)COC(=O)C
InChi [?]:
InChI=1/C24H34O9/c1-12(2)7-18(27)32-16-9-23(10-29-14(4)25)17(8-13(16)3)33-21-19(28)20(31-15(5)26)22(23,6)24(21)11-30-24/h8,12,16-17,19-21,28H,7,9-11H2,1-6H3
InChi Info:
AuxInfo=1/0/N:13,14,1,33,27,28,11,3,6,29,20,12,2,31,25,7,4,9,17,16,18,15,5,19,32,26,10,23,30,21,24,8,22/E:(1,2)/rA:33cCCCCCCCOCOCCCCCCCCCCOOOOCOCCCOCOC/rB:s1;d2;s3;s4;s5;s2s6;s7;s8;d9;s9;s11;s12;s12;s5;s15;s16;s17;s15s18;s19;s19s20;s4s18;s17;s16;s24;d25;s25;s15;s5;s29;s30;d31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H34O9 |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 8 |
ZAP Information [?]
Total: | 8.70093 |
Area: | 648.665 |
Solvation: | -7.51569 |
Coulombic: | -87.1607 |
Bond Count [?]
All: | 36 |
Single: | 32 |
Double: | 4 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 466.521 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 9 |
XLogP: | 1.69 |
LogP (Chemaxon): | 0.85 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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