CID 10030667

Denticulaflavonol

Structural Information

Molecular Formula
C35H42O6
SMILES
C/C(=C\CC1=C(C2=C(C=C1O)OC(=C(C2=O)O)C3=CC=C(C=C3)O)O)/CCC4C(=C)CCC5C4(CCCC5(C)C)C
InChI
InChI=1S/C35H42O6/c1-20(8-15-25-21(2)9-16-28-34(3,4)17-6-18-35(25,28)5)7-14-24-26(37)19-27-29(30(24)38)31(39)32(40)33(41-27)22-10-12-23(36)13-11-22/h7,10-13,19,25,28,36-38,40H,2,6,8-9,14-18H2,1,3-5H3/b20-7+
InChIKey
VLQNALFJVBGYOK-IFRROFPPSA-N
Compound name
6-[(E)-5-(5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)-3-methylpent-2-enyl]-3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

558.29816 Da
Monoisotopic Mass

9.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 559.30544 240.3
[M+Na]+ 581.28738 245.2
[M-H]- 557.29088 245.9
[M+NH4]+ 576.33198 246.6
[M+K]+ 597.26132 239.8
[M+H-H2O]+ 541.29542 230.0
[M+HCOO]- 603.29636 243.5
[M+CH3COO]- 617.31201 252.9
[M+Na-2H]- 579.27283 235.0
[M]+ 558.29761 238.2
[M]- 558.29871 238.2
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.