CID 66432

3625-82-9

Structural Information

Molecular Formula
C20H28O2
SMILES
CC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)OC
InChI
InChI=1S/C20H28O2/c1-3-20-11-10-16-15-7-5-14(22-2)12-13(15)4-6-17(16)18(20)8-9-19(20)21/h5,7,12,16-19,21H,3-4,6,8-11H2,1-2H3/t16-,17-,18+,19+,20+/m1/s1
InChIKey
CNPGMVAEOUQDBN-SLHNCBLASA-N
Compound name
(8R,9S,13S,14S,17S)-13-ethyl-3-methoxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

13
Patents

300.20892 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.21620 174.0
[M+Na]+ 323.19814 185.1
[M+NH4]+ 318.24274 185.8
[M+K]+ 339.17208 176.5
[M-H]- 299.20164 177.4
[M+Na-2H]- 321.18359 176.8
[M]+ 300.20837 176.7
[M]- 300.20947 176.7
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

patents stripe