CID 4587968

Mundulone

Structural Information

Molecular Formula
C26H26O6
SMILES
CC1(C=CC2=C(O1)C=CC(=C2OC)C3=COC4=C(C3=O)C=C5CC(C(OC5=C4)(C)C)O)C
InChI
InChI=1S/C26H26O6/c1-25(2)9-8-16-19(31-25)7-6-15(24(16)29-5)18-13-30-21-12-20-14(10-17(21)23(18)28)11-22(27)26(3,4)32-20/h6-10,12-13,22,27H,11H2,1-5H3
InChIKey
KJTDZAHLWHEULN-UHFFFAOYSA-N
Compound name
3-hydroxy-7-(5-methoxy-2,2-dimethylchromen-6-yl)-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

13
Patents

434.17294 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.18022 205.5
[M+Na]+ 457.16216 216.5
[M-H]- 433.16566 216.2
[M+NH4]+ 452.20676 217.7
[M+K]+ 473.13610 216.0
[M+H-H2O]+ 417.17020 194.6
[M+HCOO]- 479.17114 216.5
[M+CH3COO]- 493.18679 215.5
[M+Na-2H]- 455.14761 210.8
[M]+ 434.17239 212.0
[M]- 434.17349 212.0
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.