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]+ 343.22676 185.4
[M+Na]+ 365.20870 190.3
[M-H]- 341.21220 189.9
[M+NH4]+ 360.25330 205.5
[M+K]+ 381.18264 185.6
[M+H-H2O]+ 325.21674 178.4
[M+HCOO]- 387.21768 197.7
[M+CH3COO]- 401.23333 214.6
[M+Na-2H]- 363.19415 184.9
[M]+ 342.21893 183.9
[M]- 342.22003 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.