CID 165353253

Dtxsid901188412

Structural Information

Molecular Formula
C22H30O3
SMILES
CC(=O)O[C@H]1CC[C@@]2([C@@]1(CC[C@H]3[C@H]2CCC4=C3C=CC(=C4)OC)C)C
InChI
InChI=1S/C22H30O3/c1-14(23)25-20-10-12-21(2)19-8-5-15-13-16(24-4)6-7-17(15)18(19)9-11-22(20,21)3/h6-7,13,18-20H,5,8-12H2,1-4H3/t18-,19-,20+,21+,22-/m1/s1
InChIKey
GSWIRMJPZCMXSQ-LXHROKJGSA-N
Compound name
[(8R,9S,13S,14S,17S)-3-methoxy-13,14-dimethyl-7,8,9,11,12,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.21948 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.22676 185.0
[M+Na]+ 365.20870 195.3
[M+NH4]+ 360.25330 197.1
[M+K]+ 381.18264 185.6
[M-H]- 341.21220 187.7
[M+Na-2H]- 363.19415 188.5
[M]+ 342.21893 187.5
[M]- 342.22003 187.5
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.