CID 11581938

(6ar,11ar)-3,9-dihydroxy-4,8-diprenylpterocarpan

Structural Information

Molecular Formula
C25H28O4
SMILES
CC(=CCC1=CC2=C(C=C1O)OC3C2COC4=C3C=CC(=C4CC=C(C)C)O)C
InChI
InChI=1S/C25H28O4/c1-14(2)5-7-16-11-19-20-13-28-24-17(8-6-15(3)4)21(26)10-9-18(24)25(20)29-23(19)12-22(16)27/h5-6,9-12,20,25-27H,7-8,13H2,1-4H3
InChIKey
SAXBNTXROWQAKX-UHFFFAOYSA-N
Compound name
4,8-bis(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

0
References

0
Patents

392.19876 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.20604 199.3
[M+Na]+ 415.18798 206.0
[M-H]- 391.19148 203.8
[M+NH4]+ 410.23258 212.1
[M+K]+ 431.16192 201.6
[M+H-H2O]+ 375.19602 193.2
[M+HCOO]- 437.19696 209.4
[M+CH3COO]- 451.21261 223.2
[M+Na-2H]- 413.17343 197.4
[M]+ 392.19821 201.6
[M]- 392.19931 201.6
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.