CID 10394786

Kuwanon j

Structural Information

Molecular Formula
C40H38O10
SMILES
CC1=CC(C(C(C1)C2=C(C=C(C=C2)O)O)C(=O)C3=C(C(=C(C=C3)O)CC=C(C)C)O)C4=C(C=CC(=C4O)C(=O)/C=C/C5=C(C=C(C=C5)O)O)O
InChI
InChI=1S/C40H38O10/c1-20(2)4-9-26-32(44)14-12-28(38(26)48)40(50)36-29(25-10-8-24(42)19-35(25)47)16-21(3)17-30(36)37-33(45)15-11-27(39(37)49)31(43)13-6-22-5-7-23(41)18-34(22)46/h4-8,10-15,17-19,29-30,36,41-42,44-49H,9,16H2,1-3H3/b13-6+
InChIKey
KBAPHKOHTBBCTO-AWNIVKPZSA-N
Compound name
(E)-1-[3-[6-[2,4-dihydroxy-3-(3-methylbut-2-enyl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2,4-dihydroxyphenyl]-3-(2,4-dihydroxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

678.2465 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 679.25378 261.8
[M+Na]+ 701.23572 262.3
[M-H]- 677.23922 267.1
[M+NH4]+ 696.28032 254.8
[M+K]+ 717.20966 259.4
[M+H-H2O]+ 661.24376 249.7
[M+HCOO]- 723.24470 264.2
[M+CH3COO]- 737.26035 271.5
[M+Na-2H]- 699.22117 270.2
[M]+ 678.24595 259.3
[M]- 678.24705 259.3
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

patents stripe