CID 10893266

Dtxsid901335673

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.21948 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.226756 185.4
[M+Na]+ 365.208698 190.3
[M-H]- 341.212204 189.9
[M+NH4]+ 360.253303 205.5
[M+K]+ 381.182638 185.6
[M+H-H2O]+ 325.216740 178.4
[M+HCOO]- 387.217681 197.7
[M+CH3COO]- 401.233331 214.6
[M+Na-2H]- 363.194146 184.9
[M]+ 342.21893142 183.9
[M]- 342.22002858 183.9
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.