CID 131753054

1-methoxyphaseollin

Structural Information

Molecular Formula
C21H20O5
SMILES
CC1(C=CC2=C(O1)C=CC3=C2OC4C3COC5=C4C=CC(=C5OC)O)C
InChI
InChI=1S/C21H20O5/c1-21(2)9-8-12-16(26-21)7-5-11-14-10-24-19-13(18(14)25-17(11)12)4-6-15(22)20(19)23-3/h4-9,14,18,22H,10H2,1-3H3
InChIKey
JQFXBCOZQHXLQX-UHFFFAOYSA-N
Compound name
6-methoxy-17,17-dimethyl-4,12,18-trioxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),5(10),6,8,14(19),15,20-heptaen-7-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

352.13107 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.13835 181.2
[M+Na]+ 375.12029 196.3
[M+NH4]+ 370.16489 192.0
[M+K]+ 391.09423 189.4
[M-H]- 351.12379 188.8
[M+Na-2H]- 373.10574 183.4
[M]+ 352.13052 186.0
[M]- 352.13162 186.0
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.