CID 70700393

54024-17-8

Structural Information

Molecular Formula
C20H26O2
SMILES
CCC12CC(=C)[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=O)CC[C@H]34
InChI
InChI=1S/C20H26O2/c1-3-20-11-12(2)19-15-7-5-14(21)10-13(15)4-6-16(19)17(20)8-9-18(20)22/h10,15-17,19H,2-9,11H2,1H3/t15-,16-,17-,19+,20?/m0/s1
InChIKey
QSUOYDLHCFPVMW-XFAGIWRCSA-N
Compound name
(8S,9S,10R,14S)-13-ethyl-11-methylidene-2,6,7,8,9,10,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.19327 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.200546 172.5
[M+Na]+ 321.182488 178.2
[M-H]- 297.185994 177.0
[M+NH4]+ 316.227093 194.5
[M+K]+ 337.156428 171.8
[M+H-H2O]+ 281.190530 166.2
[M+HCOO]- 343.191471 183.8
[M+CH3COO]- 357.207121 182.2
[M+Na-2H]- 319.167936 171.6
[M]+ 298.19272142 165.6
[M]- 298.19381858 165.6
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.