CID 10553941

Maculalactone g

Structural Information

Molecular Formula
C34H30O5
SMILES
C1[C@@H]([C@@]2([C@]3([C@](O3)(C(=O)O2)CC4=CC=CC=C4)[C@]([C@H]1O)(C5=CC=CC=C5)O)CC6=CC=CC=C6)C7=CC=CC=C7
InChI
InChI=1S/C34H30O5/c35-29-21-28(26-17-9-3-10-18-26)31(22-24-13-5-1-6-14-24)34(33(29,37)27-19-11-4-12-20-27)32(39-34,30(36)38-31)23-25-15-7-2-8-16-25/h1-20,28-29,35,37H,21-23H2/t28-,29+,31-,32-,33-,34+/m1/s1
InChIKey
MDTCKIOSBREYAT-YNFXEPLVSA-N
Compound name
(1aS,3aR,4R,6S,7R,7aS)-1a,3a-dibenzyl-6,7-dihydroxy-4,7-diphenyl-5,6-dihydro-4H-oxireno[2,3-c][1]benzofuran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

518.20935 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 519.21663 215.0
[M+Na]+ 541.19857 223.0
[M-H]- 517.20207 230.7
[M+NH4]+ 536.24317 222.1
[M+K]+ 557.17251 222.8
[M+H-H2O]+ 501.20661 204.6
[M+HCOO]- 563.20755 226.2
[M+CH3COO]- 577.22320 222.6
[M+Na-2H]- 539.18402 218.2
[M]+ 518.20880 218.1
[M]- 518.20990 218.1
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.