CID 107849

Versicolorin b(1-)

Structural Information

Molecular Formula
C18H12O7
SMILES
C1CO[C@H]2[C@@H]1C3=C(O2)C=C4C(=C3O)C(=O)C5=C(C4=O)C=C(C=C5O)O
InChI
InChI=1S/C18H12O7/c19-6-3-8-12(10(20)4-6)16(22)14-9(15(8)21)5-11-13(17(14)23)7-1-2-24-18(7)25-11/h3-5,7,18-20,23H,1-2H2/t7-,18+/m0/s1
InChIKey
BABJNKGTTYCTOO-ULCDLSAGSA-N
Compound name
(4S,8R)-2,16,18-trihydroxy-7,9-dioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1,3(10),11,14(19),15,17-hexaene-13,20-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

14
References

23
Patents

340.0583 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.06558 172.3
[M+Na]+ 363.04752 184.1
[M+NH4]+ 358.09212 179.6
[M+K]+ 379.02146 184.0
[M-H]- 339.05102 175.5
[M+Na-2H]- 361.03297 170.1
[M]+ 340.05775 174.7
[M]- 340.05885 174.7
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