CID 42607704

2',4',6',3-tetrahydroxy-3'-geranyl-6'',6''-dimethylpyrano[2'',3'':4,5]dihydrochalcone

Structural Information

Molecular Formula
C30H36O6
SMILES
CC(=CCC/C(=C/CC1=C(C(=C(C=C1O)O)C(=O)CCC2=CC3=C(C(=C2)O)OC(C=C3)(C)C)O)/C)C
InChI
InChI=1S/C30H36O6/c1-18(2)7-6-8-19(3)9-11-22-24(32)17-25(33)27(28(22)35)23(31)12-10-20-15-21-13-14-30(4,5)36-29(21)26(34)16-20/h7,9,13-17,32-35H,6,8,10-12H2,1-5H3/b19-9+
InChIKey
LEVMXFZLHWQXFZ-DJKKODMXSA-N
Compound name
1-[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4,6-trihydroxyphenyl]-3-(8-hydroxy-2,2-dimethylchromen-6-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

492.2512 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.25848 223.7
[M+Na]+ 515.24042 228.4
[M-H]- 491.24392 226.1
[M+NH4]+ 510.28502 230.2
[M+K]+ 531.21436 223.8
[M+H-H2O]+ 475.24846 216.0
[M+HCOO]- 537.24940 232.2
[M+CH3COO]- 551.26505 239.3
[M+Na-2H]- 513.22587 218.0
[M]+ 492.25065 226.7
[M]- 492.25175 226.7
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.