CID 131752522

Pyranomammea b

Structural Information

Molecular Formula
C22H28O6
SMILES
CCCC1=CC(=O)OC2=C1C(=C3CC(C(OC3=C2C(=O)C(C)CC)(C)C)O)O
InChI
InChI=1S/C22H28O6/c1-6-8-12-9-15(24)27-21-16(12)19(26)13-10-14(23)22(4,5)28-20(13)17(21)18(25)11(3)7-2/h9,11,14,23,26H,6-8,10H2,1-5H3
InChIKey
IWAUBOJXTGEZNN-UHFFFAOYSA-N
Compound name
3,5-dihydroxy-2,2-dimethyl-10-(2-methylbutanoyl)-6-propyl-3,4-dihydropyrano[3,2-g]chromen-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.1886 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.19588 191.8
[M+Na]+ 411.17782 203.9
[M+NH4]+ 406.22242 198.5
[M+K]+ 427.15176 197.6
[M-H]- 387.18132 194.8
[M+Na-2H]- 409.16327 192.7
[M]+ 388.18805 194.5
[M]- 388.18915 194.5
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.