Chemical ID: 4299790

CC(=O)C12C(O1)CC3C2(CCC4C3CC=C5C4(CCC(C5)O)C)C
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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