CID 13944253

3-epiarmefolin

Structural Information

Molecular Formula
C15H20O4
SMILES
CC1=C2C3C(CCC2(C(CC1O)O)C)C(=C)C(=O)O3
InChI
InChI=1S/C15H20O4/c1-7-9-4-5-15(3)11(17)6-10(16)8(2)12(15)13(9)19-14(7)18/h9-11,13,16-17H,1,4-6H2,2-3H3
InChIKey
VRHFGDDYTIJYIX-UHFFFAOYSA-N
Compound name
6,8-dihydroxy-5a,9-dimethyl-3-methylidene-4,5,6,7,8,9b-hexahydro-3aH-benzo[g][1]benzofuran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.13617 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.14345 159.3
[M+Na]+ 287.12539 169.1
[M+NH4]+ 282.16999 168.4
[M+K]+ 303.09933 164.3
[M-H]- 263.12889 161.0
[M+Na-2H]- 285.11084 159.7
[M]+ 264.13562 161.0
[M]- 264.13672 161.0
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.