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]+ 489.227156 217.7
[M+Na]+ 511.209098 227.2
[M-H]- 487.212604 226.8
[M+NH4]+ 506.253703 229.1
[M+K]+ 527.183038 225.2
[M+H-H2O]+ 471.217140 207.8
[M+HCOO]- 533.218081 224.4
[M+CH3COO]- 547.233731 248.4
[M+Na-2H]- 509.194546 216.5
[M]+ 488.21933142 221.4
[M]- 488.22042858 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.