CID 169440323

149438-01-7

Structural Information

Molecular Formula
C22H30O3
SMILES
CC[C@]12CC(=C)[C@@H]3[C@H]4CCC5(CC4=CC[C@H]3[C@@H]1CCC2=O)OCCO5
InChI
InChI=1S/C22H30O3/c1-3-21-12-14(2)20-16-8-9-22(24-10-11-25-22)13-15(16)4-5-17(20)18(21)6-7-19(21)23/h4,16-18,20H,2-3,5-13H2,1H3/t16-,17-,18-,20+,21-/m0/s1
InChIKey
OTXKUBNWDUXNIS-RDIJVOARSA-N
Compound name
(8'S,9'S,10'R,13'S,14'S)-13'-ethyl-11'-methylidenespiro[1,3-dioxolane-2,3'-2,4,7,8,9,10,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene]-17'-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.21948 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.22676 185.5
[M+Na]+ 365.20870 194.2
[M+NH4]+ 360.25330 197.9
[M+K]+ 381.18264 187.0
[M-H]- 341.21220 191.2
[M+Na-2H]- 363.19415 185.8
[M]+ 342.21893 188.5
[M]- 342.22003 188.5
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.