Chemical ID: 4555505

CC1CCCC(CCCCCc2cc(cc(c2C(=O)O1)O)O)O
Chemical ID:
4555505
Name [?]:
7,15,17-trihydroxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-15,17,19-trien-13-one
SMILES [?]:
CC1CCCC(CCCCCc2cc(cc(c2C(=O)O1)O)O)O
InChi [?]:
InChI=1/C18H26O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h10-12,14,19-21H,2-9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,9,10,8,4,3,11,7,5,13,15,2,12,6,14,16,17,18,23,22,21,19,20/rA:23cCCCCCCCCCCCCCCCCCCOOOOO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s17;d18;s2s18;s16;s14;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H26O5
All Atoms:23
Heavy Atoms:23
Chiral Atoms:2
ZAP Information [?]
Total:7.72555
Area:473.905
Solvation:-4.12208
Coulombic:-68.5151
Bond Count [?]
All:24
Single:20
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:322.396
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:3.92
LogP (Chemaxon):4.18

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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