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Chemical ID: 4921378
Chemical ID:
4921378
Name [?]:
None
SMILES [?]:
CC1(CCCC23C1C(C(C45C2CCC(C4O)C(=C)C5=O)(OC3)O)O)C
InChi [?]:
InChI=1/C20H28O5/c1-10-11-5-6-12-18-8-4-7-17(2,3)13(18)16(23)20(24,25-9-18)19(12,14(10)21)15(11)22/h11-13,15-16,22-24H,1,4-9H2,2-3H3
InChi Info:
AuxInfo=1/0/N:18,1,25,4,13,12,3,5,22,17,14,11,7,19,15,8,2,6,10,9,20,16,24,23,21/E:(2,3)/rA:25cCCCCCCCCCCCCCCCOCCCOOCOOC/rB:s1;s2;s3;s4;s5;s2s6;s7;s8;s9;s6s10;s11;s12;s13;s10s14;s15;s14;d17;s10s17;d19;s9;s6s21;s9;s8;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H28O5 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 8 |
ZAP Information [?]
Total: | 6.55437 |
Area: | 453.492 |
Solvation: | -4.78295 |
Coulombic: | -69.614 |
Bond Count [?]
All: | 29 |
Single: | 27 |
Double: | 2 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 348.433 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | 1.63 |
LogP (Chemaxon): | 3.24 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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