CID 131753137

12-dehydroporson

Structural Information

Molecular Formula
C22H24O6
SMILES
COC1=C2C=C(CC(=O)C(=O)CCCCC3=CC2=C(C(=C3O)OC)OC)C=C1
InChI
InChI=1S/C22H24O6/c1-26-19-9-8-13-10-15(19)16-12-14(20(25)22(28-3)21(16)27-2)6-4-5-7-17(23)18(24)11-13/h8-10,12,25H,4-7,11H2,1-3H3
InChIKey
ACTVOSXZOZQENN-UHFFFAOYSA-N
Compound name
15-hydroxy-3,16,17-trimethoxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaene-8,9-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.1573 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.16458 188.2
[M+Na]+ 407.14652 196.0
[M-H]- 383.15002 188.1
[M+NH4]+ 402.19112 200.1
[M+K]+ 423.12046 193.7
[M+H-H2O]+ 367.15456 184.8
[M+HCOO]- 429.15550 202.2
[M+CH3COO]- 443.17115 216.7
[M+Na-2H]- 405.13197 190.3
[M]+ 384.15675 190.8
[M]- 384.15785 190.8
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.