CID 44257500

3-hydroxy-4-methoxy-8,9-methylenedioxypterocarpene

Structural Information

Molecular Formula
C17H12O6
SMILES
COC1=C(C=CC2=C1OCC3=C2OC4=CC5=C(C=C34)OCO5)O
InChI
InChI=1S/C17H12O6/c1-19-17-11(18)3-2-8-15-10(6-20-16(8)17)9-4-13-14(22-7-21-13)5-12(9)23-15/h2-5,18H,6-7H2,1H3
InChIKey
GCMNUBMUFAKPBL-UHFFFAOYSA-N
Compound name
17-methoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13(18),14,16-heptaen-16-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.0634 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.07068 162.3
[M+Na]+ 335.05262 174.3
[M-H]- 311.05612 172.5
[M+NH4]+ 330.09722 179.1
[M+K]+ 351.02656 175.0
[M+H-H2O]+ 295.06066 158.9
[M+HCOO]- 357.06160 178.9
[M+CH3COO]- 371.07725 176.2
[M+Na-2H]- 333.03807 169.7
[M]+ 312.06285 171.5
[M]- 312.06395 171.5
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.