CID 42607731

Helilupolone

Structural Information

Molecular Formula
C30H38O4
SMILES
CC(=CCC1=C(C(C(=O)C(=C1O)C(=O)CCC2=CC=CC=C2)(CC=C(C)C)CC=C(C)C)O)C
InChI
InChI=1S/C30H38O4/c1-20(2)12-14-24-27(32)26(25(31)15-13-23-10-8-7-9-11-23)29(34)30(28(24)33,18-16-21(3)4)19-17-22(5)6/h7-12,16-17,32-33H,13-15,18-19H2,1-6H3
InChIKey
LFFGARMIFWEHDF-UHFFFAOYSA-N
Compound name
3,5-dihydroxy-4,6,6-tris(3-methylbut-2-enyl)-2-(3-phenylpropanoyl)cyclohexa-2,4-dien-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

462.277 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.28428 214.6
[M+Na]+ 485.26622 218.1
[M-H]- 461.26972 217.3
[M+NH4]+ 480.31082 223.9
[M+K]+ 501.24016 211.8
[M+H-H2O]+ 445.27426 207.5
[M+HCOO]- 507.27520 226.8
[M+CH3COO]- 521.29085 236.6
[M+Na-2H]- 483.25167 206.1
[M]+ 462.27645 216.1
[M]- 462.27755 216.1
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.