CID 25201116

(1's,5'r)-5'-hydroxyaverantin

Structural Information

Molecular Formula
C20H20O8
SMILES
C[C@H](CCC[C@@H](C1=C(C=C2C(=C1O)C(=O)C3=C(C2=O)C=C(C=C3O)O)O)O)O
InChI
InChI=1S/C20H20O8/c1-8(21)3-2-4-12(23)17-14(25)7-11-16(20(17)28)19(27)15-10(18(11)26)5-9(22)6-13(15)24/h5-8,12,21-25,28H,2-4H2,1H3/t8-,12+/m1/s1
InChIKey
GGNDESPZSKTNHV-PELKAZGASA-N
Compound name
2-[(1S,5R)-1,5-dihydroxyhexyl]-1,3,6,8-tetrahydroxyanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.1158 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.12308 186.0
[M+Na]+ 411.10502 192.9
[M-H]- 387.10852 184.0
[M+NH4]+ 406.14962 195.8
[M+K]+ 427.07896 189.4
[M+H-H2O]+ 371.11306 180.1
[M+HCOO]- 433.11400 195.0
[M+CH3COO]- 447.12965 215.6
[M+Na-2H]- 409.09047 184.2
[M]+ 388.11525 187.2
[M]- 388.11635 187.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.