CID 10649055

Maculalactone f

Structural Information

Molecular Formula
C34H28O4
SMILES
C1[C@@H]([C@@]2(C(=C(C(=O)O2)CC3=CC=CC=C3)[C@@](C1=O)(C4=CC=CC=C4)O)CC5=CC=CC=C5)C6=CC=CC=C6
InChI
InChI=1S/C34H28O4/c35-30-22-29(26-17-9-3-10-18-26)33(23-25-15-7-2-8-16-25)31(34(30,37)27-19-11-4-12-20-27)28(32(36)38-33)21-24-13-5-1-6-14-24/h1-20,29,37H,21-23H2/t29-,33-,34+/m1/s1
InChIKey
ZHAMDNLRQOFZPU-SJZCYFJVSA-N
Compound name
(4R,7R,7aR)-3,7a-dibenzyl-4-hydroxy-4,7-diphenyl-6,7-dihydro-1-benzofuran-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

500.19876 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 501.20604 226.7
[M+Na]+ 523.18798 232.8
[M-H]- 499.19148 241.8
[M+NH4]+ 518.23258 236.2
[M+K]+ 539.16192 226.4
[M+H-H2O]+ 483.19602 213.6
[M+HCOO]- 545.19696 242.1
[M+CH3COO]- 559.21261 234.0
[M+Na-2H]- 521.17343 225.7
[M]+ 500.19821 224.7
[M]- 500.19931 224.7
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.