CID 628742

Prexanthoperol

Structural Information

Molecular Formula
C20H26O3
SMILES
CC(C)C1=C(C=C2C(=C1)C(=O)C(=O)C3C2(CCCC3(C)C)C)O
InChI
InChI=1S/C20H26O3/c1-11(2)12-9-13-14(10-15(12)21)20(5)8-6-7-19(3,4)18(20)17(23)16(13)22/h9-11,18,21H,6-8H2,1-5H3
InChIKey
KVTOPOITUALWOF-UHFFFAOYSA-N
Compound name
6-hydroxy-1,1,4a-trimethyl-7-propan-2-yl-2,3,4,10a-tetrahydrophenanthrene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.1882 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.19548 174.6
[M+Na]+ 337.17742 186.7
[M+NH4]+ 332.22202 185.6
[M+K]+ 353.15136 176.2
[M-H]- 313.18092 176.9
[M+Na-2H]- 335.16287 179.4
[M]+ 314.18765 177.3
[M]- 314.18875 177.3
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.