CID 146170988

(1'r,2's,6r)-1,6,9,10-tetrahydroxy-2',5,6,7-tetrahydroanthra[3,2-b]furo[2',1'-d]furan-8(1'h)-one

Structural Information

Molecular Formula
C18H14O7
SMILES
C1[C@H](CC(=O)C2=C(C3=C(C4=C(C=C3C(=C21)O)O[C@@H]5[C@H]4C=CO5)O)O)O
InChI
InChI=1S/C18H14O7/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/h1-2,5-7,18-19,21-23H,3-4H2/t6-,7+,18-/m1/s1
InChIKey
QATMRPSCQAYYCA-OIROLDLGSA-N
Compound name
(4S,8R,16R)-2,13,16,20-tetrahydroxy-7,9-dioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1,3(10),5,11,13,19-hexaen-18-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

342.07394 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.08122 173.3
[M+Na]+ 365.06316 184.5
[M+NH4]+ 360.10776 180.6
[M+K]+ 381.03710 184.9
[M-H]- 341.06666 176.3
[M+Na-2H]- 363.04861 170.6
[M]+ 342.07339 175.6
[M]- 342.07449 175.6
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.