CID 85746

13-ethyl-3-methoxygona-2,5(10)-dien-17beta-ol

Structural Information

Molecular Formula
C20H30O2
SMILES
CCC12CCC3C(C1CC(C2)O)CCC4=C3CC=C(C4)OC
InChI
InChI=1S/C20H30O2/c1-3-20-9-8-17-16-7-5-15(22-2)10-13(16)4-6-18(17)19(20)11-14(21)12-20/h5,14,17-19,21H,3-4,6-12H2,1-2H3
InChIKey
BIUKNRSGOGLWJB-UHFFFAOYSA-N
Compound name
13-ethyl-3-methoxy-1,4,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-16-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.22458 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.23186 175.4
[M+Na]+ 325.21380 185.5
[M+NH4]+ 320.25840 187.1
[M+K]+ 341.18774 177.2
[M-H]- 301.21730 178.6
[M+Na-2H]- 323.19925 177.3
[M]+ 302.22403 177.8
[M]- 302.22513 177.8
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.