CID 10478165

Petalopurpurenol

Structural Information

Molecular Formula
C25H24O7
SMILES
CC(=CCCC1(C=CC2=C(C=CC(=C2O1)O)C3=C(C(=O)C4=C(C=C(C=C4O3)O)O)O)C)C
InChI
InChI=1S/C25H24O7/c1-13(2)5-4-9-25(3)10-8-16-15(6-7-17(27)23(16)32-25)24-22(30)21(29)20-18(28)11-14(26)12-19(20)31-24/h5-8,10-12,26-28,30H,4,9H2,1-3H3
InChIKey
LBBKHSYDJWHLOM-UHFFFAOYSA-N
Compound name
3,5,7-trihydroxy-2-[8-hydroxy-2-methyl-2-(4-methylpent-3-enyl)chromen-5-yl]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

436.1522 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.15948 206.0
[M+Na]+ 459.14142 215.1
[M-H]- 435.14492 211.6
[M+NH4]+ 454.18602 214.6
[M+K]+ 475.11536 212.4
[M+H-H2O]+ 419.14946 197.4
[M+HCOO]- 481.15040 216.6
[M+CH3COO]- 495.16605 226.9
[M+Na-2H]- 457.12687 207.8
[M]+ 436.15165 210.6
[M]- 436.15275 210.6
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.