CID 11335647

Mopanan-4alpha-ol

Structural Information

Molecular Formula
C16H14O6
SMILES
C1C2=C(C=CC(=C2O)O)[C@@H]3[C@@H](O1)[C@@H](C4=C(O3)C=C(C=C4)O)O
InChI
InChI=1S/C16H14O6/c17-7-1-2-9-12(5-7)22-15-8-3-4-11(18)13(19)10(8)6-21-16(15)14(9)20/h1-5,14-20H,6H2/t14-,15-,16+/m1/s1
InChIKey
AQPFFYOIRKEBDI-OAGGEKHMSA-N
Compound name
(6aS,7R,12aR)-5,6a,7,12a-tetrahydroisochromeno[4,3-b]chromene-3,4,7,10-tetrol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.07904 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.08632 163.1
[M+Na]+ 325.06826 171.8
[M-H]- 301.07176 166.1
[M+NH4]+ 320.11286 176.3
[M+K]+ 341.04220 169.7
[M+H-H2O]+ 285.07630 156.5
[M+HCOO]- 347.07724 173.2
[M+CH3COO]- 361.09289 173.5
[M+Na-2H]- 323.05371 170.0
[M]+ 302.07849 162.9
[M]- 302.07959 162.9
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.