CID 44257402

Myriconol

Structural Information

Molecular Formula
C23H22O6
SMILES
COC1=C(C=C2C(=C1)C3C(CO2)OC4=C(C3=O)C=C(C(=C4)O)/C=C/CC=C)OC
InChI
InChI=1S/C23H22O6/c1-4-5-6-7-13-8-15-18(10-16(13)24)29-21-12-28-17-11-20(27-3)19(26-2)9-14(17)22(21)23(15)25/h4,6-11,21-22,24H,1,5,12H2,2-3H3/b7-6+
InChIKey
IWBCQVBHUFYGAK-VOTSOKGWSA-N
Compound name
9-hydroxy-2,3-dimethoxy-10-[(1E)-penta-1,4-dienyl]-6a,12a-dihydro-6H-chromeno[3,4-b]chromen-12-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.14163 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.14891 192.5
[M+Na]+ 417.13085 200.8
[M-H]- 393.13435 198.5
[M+NH4]+ 412.17545 203.8
[M+K]+ 433.10479 198.0
[M+H-H2O]+ 377.13889 183.8
[M+HCOO]- 439.13983 205.0
[M+CH3COO]- 453.15548 224.5
[M+Na-2H]- 415.11630 195.9
[M]+ 394.14108 197.5
[M]- 394.14218 197.5
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.