CID 4107264

4-(dimethyl-dioxo-tetradecahydro-1h-cyclopenta(a)phenanthren-yl)-pentanoic acid

Structural Information

Molecular Formula
C24H34O4
SMILES
CC(CCC(=O)O)C1CCC2C1(C(=O)CC3C2CCC4=CC(=O)CCC34C)C
InChI
InChI=1S/C24H34O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h12,14,17-20H,4-11,13H2,1-3H3,(H,27,28)
InChIKey
KDKHHTADLRSZAE-UHFFFAOYSA-N
Compound name
4-(10,13-dimethyl-3,12-dioxo-2,6,7,8,9,11,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.2457 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.25298 195.9
[M+Na]+ 409.23492 202.8
[M+NH4]+ 404.27952 205.9
[M+K]+ 425.20886 195.0
[M-H]- 385.23842 196.4
[M+Na-2H]- 407.22037 195.6
[M]+ 386.24515 197.0
[M]- 386.24625 197.0
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.