CID 487169

6-methoxyboeravinone c

Structural Information

Molecular Formula
C19H18O8
SMILES
CC1=C(C=C2C(=C1O)C(=O)[C@@]3([C@@H](O2)[C@@H](OC4=C3C=CC=C4O)OC)O)OC
InChI
InChI=1S/C19H18O8/c1-8-11(24-2)7-12-13(14(8)21)16(22)19(23)9-5-4-6-10(20)15(9)27-18(25-3)17(19)26-12/h4-7,17-18,20-21,23H,1-3H3/t17-,18+,19-/m0/s1
InChIKey
UPWSFMIXMFRGQP-OTWHNJEPSA-N
Compound name
(6R,6aR,12aR)-4,11,12a-trihydroxy-6,9-dimethoxy-10-methyl-6,6a-dihydrochromeno[3,4-b]chromen-12-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

374.10016 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.10744 182.3
[M+Na]+ 397.08938 192.4
[M-H]- 373.09288 186.9
[M+NH4]+ 392.13398 195.3
[M+K]+ 413.06332 192.1
[M+H-H2O]+ 357.09742 174.9
[M+HCOO]- 419.09836 192.9
[M+CH3COO]- 433.11401 216.4
[M+Na-2H]- 395.07483 188.3
[M]+ 374.09961 188.2
[M]- 374.10071 188.2
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.