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 172.1
[M+Na]+ 337.17742 180.6
[M-H]- 313.18092 176.1
[M+NH4]+ 332.22202 192.9
[M+K]+ 353.15136 176.4
[M+H-H2O]+ 297.18546 166.7
[M+HCOO]- 359.18640 184.9
[M+CH3COO]- 373.20205 210.5
[M+Na-2H]- 335.16287 173.8
[M]+ 314.18765 171.1
[M]- 314.18875 171.1
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.