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Chemical ID: 4299790
Chemical ID:
4299790
Name [?]:
None
SMILES [?]:
CC(=O)C12C(O1)CC3C2(CCC4C3CC=C5C4(CCC(C5)O)C)C
InChi [?]:
InChI=1/C21H30O3/c1-12(22)21-18(24-21)11-17-15-5-4-13-10-14(23)6-8-19(13,2)16(15)7-9-20(17,21)3/h4,14-18,23H,5-11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,23,24,15,14,19,11,18,10,21,7,2,16,20,13,12,8,5,17,9,4,3,22,6/rA:24cCCOCCOCCCCCCCCCCCCCCCOCC/rB:s1;d2;s2;s4;s4s5;s5;s7;s4s8;s9;s10;s11;s8s12;s13;s14;d15;s12s16;s17;s18;s19;s16s20;s20;s17;s9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H30O3 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 8 |
ZAP Information [?]
Total: | 8.53131 |
Area: | 487.854 |
Solvation: | -3.66504 |
Coulombic: | -35.8183 |
Bond Count [?]
All: | 28 |
Single: | 26 |
Double: | 2 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 330.461 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.03 |
LogP (Chemaxon): | 3.14 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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