CID 467235

Cordatolide e

Structural Information

Molecular Formula
C20H24O6
SMILES
CC1CC(=O)OC2=C(C(=C3C=CC(OC3=C12)(C)C)O)C(=O)C(C)C(C)O
InChI
InChI=1S/C20H24O6/c1-9-8-13(22)25-19-14(9)18-12(6-7-20(4,5)26-18)17(24)15(19)16(23)10(2)11(3)21/h6-7,9-11,21,24H,8H2,1-5H3
InChIKey
YBTZYMZAMUEVJB-UHFFFAOYSA-N
Compound name
5-hydroxy-6-(3-hydroxy-2-methylbutanoyl)-2,2,10-trimethyl-9,10-dihydropyrano[2,3-f]chromen-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

360.1573 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.164576 182.9
[M+Na]+ 383.146518 190.1
[M-H]- 359.150024 186.9
[M+NH4]+ 378.191123 196.0
[M+K]+ 399.120458 190.0
[M+H-H2O]+ 343.154560 177.1
[M+HCOO]- 405.155501 192.2
[M+CH3COO]- 419.171151 217.8
[M+Na-2H]- 381.131966 183.6
[M]+ 360.15675142 185.9
[M]- 360.15784858 185.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.