CID 42607940

1'''-hydroxy-2''',3'''-epoxylupinifolin

Structural Information

Molecular Formula
C25H26O7
SMILES
CC1(C=CC2=C(C3=C(C(=C2O1)C(C4C(O4)(C)C)O)OC(CC3=O)C5=CC=C(C=C5)O)O)C
InChI
InChI=1S/C25H26O7/c1-24(2)10-9-14-19(28)17-15(27)11-16(12-5-7-13(26)8-6-12)30-22(17)18(21(14)31-24)20(29)23-25(3,4)32-23/h5-10,16,20,23,26,28-29H,11H2,1-4H3
InChIKey
XEUUWHJBYVEMMA-UHFFFAOYSA-N
Compound name
10-[(3,3-dimethyloxiran-2-yl)-hydroxymethyl]-5-hydroxy-8-(4-hydroxyphenyl)-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.16785 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.17513 200.2
[M+Na]+ 461.15707 210.4
[M-H]- 437.16057 210.8
[M+NH4]+ 456.20167 205.5
[M+K]+ 477.13101 211.2
[M+H-H2O]+ 421.16511 192.8
[M+HCOO]- 483.16605 207.7
[M+CH3COO]- 497.18170 209.1
[M+Na-2H]- 459.14252 203.1
[M]+ 438.16730 207.6
[M]- 438.16840 207.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.