CID 5318880

Kuraridinol

Structural Information

Molecular Formula
C26H32O7
SMILES
CC(=C)C(CCC(C)(C)O)CC1=C(C(=C(C=C1O)OC)C(=O)/C=C/C2=C(C=C(C=C2)O)O)O
InChI
InChI=1S/C26H32O7/c1-15(2)17(10-11-26(3,4)32)12-19-22(30)14-23(33-5)24(25(19)31)20(28)9-7-16-6-8-18(27)13-21(16)29/h6-9,13-14,17,27,29-32H,1,10-12H2,2-5H3/b9-7+
InChIKey
YXLKVASXUULQJH-VQHVLOKHSA-N
Compound name
(E)-1-[2,4-dihydroxy-3-(5-hydroxy-5-methyl-2-prop-1-en-2-ylhexyl)-6-methoxyphenyl]-3-(2,4-dihydroxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

30
Patents

456.2148 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.22208 209.2
[M+Na]+ 479.20402 212.8
[M-H]- 455.20752 209.0
[M+NH4]+ 474.24862 214.6
[M+K]+ 495.17796 208.6
[M+H-H2O]+ 439.21206 202.0
[M+HCOO]- 501.21300 219.0
[M+CH3COO]- 515.22865 229.2
[M+Na-2H]- 477.18947 202.9
[M]+ 456.21425 211.2
[M]- 456.21535 211.2
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.