CID 11145602

Lumaflavanone c

Structural Information

Molecular Formula
C30H34O7
SMILES
CC1=C(C2=C(C3=C1OC4(C(C3C(C)C)C(=O)C(C(=O)C4(C)C)(C)C)O)OC(CC2=O)C5=CC=CC=C5)O
InChI
InChI=1S/C30H34O7/c1-14(2)19-21-24(37-30(35)22(19)26(33)28(4,5)27(34)29(30,6)7)15(3)23(32)20-17(31)13-18(36-25(20)21)16-11-9-8-10-12-16/h8-12,14,18-19,22,32,35H,13H2,1-7H3
InChIKey
RPBFBOLBXRVOGC-UHFFFAOYSA-N
Compound name
5,7a-dihydroxy-6,8,8,10,10-pentamethyl-2-phenyl-12-propan-2-yl-2,3,11a,12-tetrahydropyrano[2,3-a]xanthene-4,9,11-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

506.23044 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.23772 218.5
[M+Na]+ 529.21966 227.6
[M-H]- 505.22316 226.1
[M+NH4]+ 524.26426 230.5
[M+K]+ 545.19360 226.4
[M+H-H2O]+ 489.22770 209.4
[M+HCOO]- 551.22864 222.4
[M+CH3COO]- 565.24429 249.0
[M+Na-2H]- 527.20511 218.3
[M]+ 506.22989 221.5
[M]- 506.23099 221.5
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.