CID 10714326

12-hydroxymyricanone

Structural Information

Molecular Formula
C21H24O6
SMILES
COC1=C2C=C(CCCCC(=O)C(CC3=CC2=C(C=C3)O)O)C(=C1OC)O
InChI
InChI=1S/C21H24O6/c1-26-20-15-11-13(19(25)21(20)27-2)5-3-4-6-17(23)18(24)10-12-7-8-16(22)14(15)9-12/h7-9,11,18,22,24-25H,3-6,10H2,1-2H3
InChIKey
MZTZAESUYFUQBV-UHFFFAOYSA-N
Compound name
3,8,15-trihydroxy-16,17-dimethoxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

372.1573 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.16458 186.2
[M+Na]+ 395.14652 193.4
[M-H]- 371.15002 183.7
[M+NH4]+ 390.19112 197.4
[M+K]+ 411.12046 190.4
[M+H-H2O]+ 355.15456 183.7
[M+HCOO]- 417.15550 197.4
[M+CH3COO]- 431.17115 210.2
[M+Na-2H]- 393.13197 188.0
[M]+ 372.15675 185.8
[M]- 372.15785 185.8
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.