CID 15713345

(13s-cis)-13-ethyl-7,11,12,13,16,17-hexahydro-3-methoxy-6h-cyclopenta[a]phenantren-17-ol

Structural Information

Molecular Formula
C20H24O2
SMILES
CC[C@]12CCC3=C(C1=CC[C@@H]2O)CCC4=C3C=CC(=C4)OC
InChI
InChI=1S/C20H24O2/c1-3-20-11-10-16-15-7-5-14(22-2)12-13(15)4-6-17(16)18(20)8-9-19(20)21/h5,7-8,12,19,21H,3-4,6,9-11H2,1-2H3/t19-,20-/m0/s1
InChIKey
ZJQGGFJSKJQCBD-PMACEKPBSA-N
Compound name
(13S,17S)-13-ethyl-3-methoxy-6,7,11,12,16,17-hexahydrocyclopenta[a]phenanthren-17-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

296.17764 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.184916 171.7
[M+Na]+ 319.166858 179.5
[M-H]- 295.170364 176.3
[M+NH4]+ 314.211463 193.6
[M+K]+ 335.140798 173.4
[M+H-H2O]+ 279.174900 165.1
[M+HCOO]- 341.175841 187.0
[M+CH3COO]- 355.191491 182.5
[M+Na-2H]- 317.152306 174.9
[M]+ 296.17709142 170.8
[M]- 296.17818858 170.8
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

patents stripe