CID 89644

Altersolanol a

Structural Information

Molecular Formula
C16H16O8
SMILES
C[C@]1([C@@H]([C@H](C2=C([C@H]1O)C(=O)C3=C(C2=O)C(=CC(=C3)OC)O)O)O)O
InChI
InChI=1S/C16H16O8/c1-16(23)14(21)10-9(13(20)15(16)22)12(19)8-6(11(10)18)3-5(24-2)4-7(8)17/h3-4,13-15,17,20-23H,1-2H3/t13-,14+,15+,16-/m0/s1
InChIKey
VSMBLBOUQJNJIL-JJXSEGSLSA-N
Compound name
(1S,2R,3S,4R)-1,2,3,4,8-pentahydroxy-6-methoxy-3-methyl-2,4-dihydro-1H-anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

23
Patents

336.0845 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.09178 170.0
[M+Na]+ 359.07372 180.1
[M-H]- 335.07722 170.0
[M+NH4]+ 354.11832 185.3
[M+K]+ 375.04766 177.0
[M+H-H2O]+ 319.08176 165.5
[M+HCOO]- 381.08270 181.0
[M+CH3COO]- 395.09835 205.5
[M+Na-2H]- 357.05917 172.2
[M]+ 336.08395 171.3
[M]- 336.08505 171.3
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

patents stripe