CID 44461377

Chembl79829

Structural Information

Molecular Formula
C24H33NO
SMILES
C[C@]12CC[C@H](C[C@@H]1CCC3C2CC[C@]4(C3CC=C4C5=CN=CC=C5)C)O
InChI
InChI=1S/C24H33NO/c1-23-11-9-18(26)14-17(23)5-6-19-21-8-7-20(16-4-3-13-25-15-16)24(21,2)12-10-22(19)23/h3-4,7,13,15,17-19,21-22,26H,5-6,8-12,14H2,1-2H3/t17-,18+,19?,21?,22?,23-,24+/m0/s1
InChIKey
UNJQRCXVHBZVTM-UEIYRWQUSA-N
Compound name
(3R,5S,10S,13S)-10,13-dimethyl-17-pyridin-3-yl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

351.25623 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.26351 191.6
[M+Na]+ 374.24545 203.3
[M+NH4]+ 369.29005 204.9
[M+K]+ 390.21939 191.8
[M-H]- 350.24895 196.9
[M+Na-2H]- 372.23090 196.7
[M]+ 351.25568 195.2
[M]- 351.25678 195.2
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

No patent data available for this compound.