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Chemical ID: 4555505
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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