CID 10741771

Abyssinoflavanone v

Structural Information

Molecular Formula
C25H28O7
SMILES
CC(=CCC1=C(C=C2C[C@@H](C(OC2=C1O)(C)C)O)[C@@H]3CC(=O)C4=C(C=C(C=C4O3)O)O)C
InChI
InChI=1S/C25H28O7/c1-12(2)5-6-15-16(7-13-8-21(29)25(3,4)32-24(13)23(15)30)19-11-18(28)22-17(27)9-14(26)10-20(22)31-19/h5,7,9-10,19,21,26-27,29-30H,6,8,11H2,1-4H3/t19-,21-/m0/s1
InChIKey
PKRYDKCBXWCSAM-FPOVZHCZSA-N
Compound name
(2S)-2-[(3S)-3,8-dihydroxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-3,4-dihydrochromen-6-yl]-5,7-dihydroxy-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.1835 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.19078 207.3
[M+Na]+ 463.17272 214.5
[M-H]- 439.17622 212.0
[M+NH4]+ 458.21732 215.8
[M+K]+ 479.14666 212.2
[M+H-H2O]+ 423.18076 199.6
[M+HCOO]- 485.18170 213.6
[M+CH3COO]- 499.19735 229.6
[M+Na-2H]- 461.15817 206.0
[M]+ 440.18295 208.3
[M]- 440.18405 208.3
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.