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Chemical ID: 4556153
Chemical ID:
4556153
Name [?]:
None
SMILES [?]:
CC(=O)C12C3(CCC4C(C3CC1(O2)C)CC=C5C4(CCC(C5)O)C)C
InChi [?]:
InChI=1/C22H32O3/c1-13(23)22-20(3)10-8-17-16(18(20)12-21(22,4)25-22)6-5-14-11-15(24)7-9-19(14,17)2/h5,15-18,24H,6-12H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,24,25,14,16,15,20,7,19,6,22,11,2,17,21,9,8,10,18,5,12,4,3,23,13/rA:25cCCOCCCCCCCCCOCCCCCCCCCOCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s5s9;s10;s4s11;s4s12;s12;s9;s15;d16;s8s17;s18;s19;s20;s17s21;s21;s18;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H32O3 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 8 |
ZAP Information [?]
Total: | 7.81919 |
Area: | 504.61 |
Solvation: | -4.79607 |
Coulombic: | -34.5523 |
Bond Count [?]
All: | 29 |
Single: | 27 |
Double: | 2 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 344.488 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.45 |
LogP (Chemaxon): | 3.21 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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