CID 13940641

Boeravinone c

Structural Information

Molecular Formula
C18H16O7
SMILES
CC1=C(C=C2C(=C1O)C(=O)C3(C(O2)COC4=C3C=CC=C4O)O)OC
InChI
InChI=1S/C18H16O7/c1-8-11(23-2)6-12-14(15(8)20)17(21)18(22)9-4-3-5-10(19)16(9)24-7-13(18)25-12/h3-6,13,19-20,22H,7H2,1-2H3
InChIKey
ZVSXALWTWGTZSP-UHFFFAOYSA-N
Compound name
4,11,12a-trihydroxy-9-methoxy-10-methyl-6,6a-dihydrochromeno[3,4-b]chromen-12-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

344.0896 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.09688 175.0
[M+Na]+ 367.07882 185.0
[M-H]- 343.08232 179.5
[M+NH4]+ 362.12342 189.2
[M+K]+ 383.05276 183.9
[M+H-H2O]+ 327.08686 167.8
[M+HCOO]- 389.08780 185.9
[M+CH3COO]- 403.10345 185.6
[M+Na-2H]- 365.06427 181.8
[M]+ 344.08905 178.7
[M]- 344.09015 178.7
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

patents stripe