CID 77157704

902768-49-4

Structural Information

Molecular Formula
C24H36O2
SMILES
CCOC1=CC2=CCC3C(C2(CC1)C)CCC4(C3CCC4(C)C(=O)C)C
InChI
InChI=1S/C24H36O2/c1-6-26-18-9-12-22(3)17(15-18)7-8-19-20(22)10-14-24(5)21(19)11-13-23(24,4)16(2)25/h7,15,19-21H,6,8-14H2,1-5H3
InChIKey
SKEIENPDXSFMHH-UHFFFAOYSA-N
Compound name
1-(3-ethoxy-10,13,17-trimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.27155 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.27883 191.3
[M+Na]+ 379.26077 196.8
[M-H]- 355.26427 195.5
[M+NH4]+ 374.30537 214.8
[M+K]+ 395.23471 191.1
[M+H-H2O]+ 339.26881 184.3
[M+HCOO]- 401.26975 201.0
[M+CH3COO]- 415.28540 218.7
[M+Na-2H]- 377.24622 190.7
[M]+ 356.27100 188.3
[M]- 356.27210 188.3
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.