CID 5854

52-72-2

Structural Information

Molecular Formula
C23H37NO3
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC[C@@H]4[C@@]3(C[C@@H]([C@H](C4)O)N5CCOCC5)C
InChI
InChI=1S/C23H37NO3/c1-22-8-7-18-16(17(22)5-6-21(22)26)4-3-15-13-20(25)19(14-23(15,18)2)24-9-11-27-12-10-24/h15-20,25H,3-14H2,1-2H3/t15-,16-,17-,18-,19-,20-,22-,23-/m0/s1
InChIKey
KFWLDVAUZFLXMB-UZBJCSTBSA-N
Compound name
(2S,3S,5S,8R,9S,10S,13S,14S)-3-hydroxy-10,13-dimethyl-2-morpholin-4-yl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.27734 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.28462 197.4
[M+Na]+ 398.26656 205.1
[M+NH4]+ 393.31116 208.9
[M+K]+ 414.24050 196.3
[M-H]- 374.27006 201.9
[M+Na-2H]- 396.25201 197.6
[M]+ 375.27679 199.8
[M]- 375.27789 199.8
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.