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]+ 273.18492 165.2
[M+Na]+ 295.16686 171.4
[M-H]- 271.17036 167.9
[M+NH4]+ 290.21146 187.2
[M+K]+ 311.14080 165.2
[M+H-H2O]+ 255.17490 159.5
[M+HCOO]- 317.17584 176.7
[M+CH3COO]- 331.19149 175.1
[M+Na-2H]- 293.15231 167.2
[M]+ 272.17709 159.0
[M]- 272.17819 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