CID 42608036

Kushenol q

Structural Information

Molecular Formula
C26H32O7
SMILES
CC(CO)C(CC=C(C)C)CC1=C2C(=C(C=C1O)O)C(=O)C[C@H](O2)C3=C(C=C(C=C3)O)OC
InChI
InChI=1S/C26H32O7/c1-14(2)5-6-16(15(3)13-27)9-19-20(29)11-21(30)25-22(31)12-24(33-26(19)25)18-8-7-17(28)10-23(18)32-4/h5,7-8,10-11,15-16,24,27-30H,6,9,12-13H2,1-4H3/t15?,16?,24-/m0/s1
InChIKey
YWIUATOYHNLUNP-WLNDFMDLSA-N
Compound name
(2S)-5,7-dihydroxy-2-(4-hydroxy-2-methoxyphenyl)-8-[2-(1-hydroxypropan-2-yl)-5-methylhex-4-enyl]-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

456.2148 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.22208 211.5
[M+Na]+ 479.20402 215.2
[M-H]- 455.20752 213.9
[M+NH4]+ 474.24862 217.2
[M+K]+ 495.17796 212.6
[M+H-H2O]+ 439.21206 203.4
[M+HCOO]- 501.21300 219.9
[M+CH3COO]- 515.22865 232.3
[M+Na-2H]- 477.18947 205.7
[M]+ 456.21425 213.6
[M]- 456.21535 213.6
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.