CID 12094732

517-07-7

Structural Information

Molecular Formula
C18H24O2
SMILES
C[C@]12CCC3=C([C@@H]1CC[C@@H]2O)C=CC4=C3CC[C@@H](C4)O
InChI
InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h2,4,12,16-17,19-20H,3,5-10H2,1H3/t12-,16-,17-,18-/m0/s1
InChIKey
FHUJXHJKJMSASV-JUKXBJQTSA-N
Compound name
(3S,13S,14S,17S)-13-methyl-1,2,3,4,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

272.17764 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.184916 165.2
[M+Na]+ 295.166858 171.4
[M-H]- 271.170364 167.9
[M+NH4]+ 290.211463 187.2
[M+K]+ 311.140798 165.2
[M+H-H2O]+ 255.174900 159.5
[M+HCOO]- 317.175841 176.7
[M+CH3COO]- 331.191491 175.1
[M+Na-2H]- 293.152306 167.2
[M]+ 272.17709142 159.0
[M]- 272.17818858 159.0
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