CID 14017299

Homoedudiol

Structural Information

Molecular Formula

C₂₀H₂₀O₄

SMILES

CC(=CCC1=CC2=C(C=C1O)O[C@@H]3[C@H]2COC4=C3C=CC(=C4)O)C

InChI

InChI=1S/C20H20O4/c1-11(2)3-4-12-7-15-16-10-23-18-8-13(21)5-6-14(18)20(16)24-19(15)9-17(12)22/h3,5-9,16,20-22H,4,10H2,1-2H3/t16-,20-/m0/s1

InChIKey

AZLNYSCXKUKIRV-JXFKEZNVSA-N

Compound name

(6aR,11aR)-8-(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 324.13617 Da
Monoisotopic Mass: 4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	325.143446	175.8
[M+Na]+	347.125388	184.0
[M-H]-	323.128894	180.9
[M+NH4]+	342.169993	191.3
[M+K]+	363.099328	180.5
[M+H-H2O]+	307.133430	170.1
[M+HCOO]-	369.134371	188.7
[M+CH3COO]-	383.150021	186.4
[M+Na-2H]-	345.110836	178.5
[M]+	324.13562142	177.6
[M]-	324.13671858	177.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.