CID 11038264

Epilumaflavanone a

Structural Information

Molecular Formula
C30H32O6
SMILES
CC1=C(C2=C(C3=C1OC4=C([C@H]3C(C)C)C(=O)C(C(=O)C4(C)C)(C)C)O[C@H](CC2=O)C5=CC=CC=C5)O
InChI
InChI=1S/C30H32O6/c1-14(2)19-21-24(36-27-22(19)26(33)29(4,5)28(34)30(27,6)7)15(3)23(32)20-17(31)13-18(35-25(20)21)16-11-9-8-10-12-16/h8-12,14,18-19,32H,13H2,1-7H3/t18-,19+/m1/s1
InChIKey
OPEYJCQUCFYYHO-MOPGFXCFSA-N
Compound name
(2R,12S)-5-hydroxy-6,8,8,10,10-pentamethyl-2-phenyl-12-propan-2-yl-3,12-dihydro-2H-pyrano[2,3-a]xanthene-4,9,11-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

488.21988 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.22716 217.7
[M+Na]+ 511.20910 227.2
[M-H]- 487.21260 226.8
[M+NH4]+ 506.25370 229.1
[M+K]+ 527.18304 225.2
[M+H-H2O]+ 471.21714 207.8
[M+HCOO]- 533.21808 224.4
[M+CH3COO]- 547.23373 248.4
[M+Na-2H]- 509.19455 216.5
[M]+ 488.21933 221.4
[M]- 488.22043 221.4
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.