Chemical ID: 4556153

CC(=O)C12C3(CCC4C(C3CC1(O2)C)CC=C5C4(CCC(C5)O)C)C
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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