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]+ 299.20055 172.5
[M+Na]+ 321.18249 178.2
[M-H]- 297.18599 177.0
[M+NH4]+ 316.22709 194.5
[M+K]+ 337.15643 171.8
[M+H-H2O]+ 281.19053 166.2
[M+HCOO]- 343.19147 183.8
[M+CH3COO]- 357.20712 182.2
[M+Na-2H]- 319.16794 171.6
[M]+ 298.19272 165.6
[M]- 298.19382 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.