CID 494278

3-hydroxy-8,9-methylenedioxy-2-prenylpterocarpan

Structural Information

Molecular Formula
C21H20O5
SMILES
CC(=CCC1=CC2=C(C=C1O)OCC3C2OC4=CC5=C(C=C34)OCO5)C
InChI
InChI=1S/C21H20O5/c1-11(2)3-4-12-5-14-17(7-16(12)22)23-9-15-13-6-19-20(25-10-24-19)8-18(13)26-21(14)15/h3,5-8,15,21-22H,4,9-10H2,1-2H3
InChIKey
UFBHHWPUVXVFRG-UHFFFAOYSA-N
Compound name
15-(3-methylbut-2-enyl)-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaen-16-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

352.13107 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.13835 181.3
[M+Na]+ 375.12029 189.7
[M-H]- 351.12379 189.8
[M+NH4]+ 370.16489 196.1
[M+K]+ 391.09423 188.8
[M+H-H2O]+ 335.12833 177.6
[M+HCOO]- 397.12927 192.5
[M+CH3COO]- 411.14492 192.2
[M+Na-2H]- 373.10574 183.2
[M]+ 352.13052 185.9
[M]- 352.13162 185.9
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

patents stripe