CID 53477688

(13s)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthrene-16,17-dione

Structural Information

Molecular Formula
C18H20O3
SMILES
C[C@]12CCC3C(C1CC(=O)C2=O)CCC4=C3C=CC(=C4)O
InChI
InChI=1S/C18H20O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-15,19H,2,4,6-7,9H2,1H3/t13?,14?,15?,18-/m0/s1
InChIKey
ANPHVANSJXDRTP-VLVBFLKRSA-N
Compound name
(13S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthrene-16,17-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

284.14124 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.14852 166.2
[M+Na]+ 307.13046 177.6
[M+NH4]+ 302.17506 177.1
[M+K]+ 323.10440 170.1
[M-H]- 283.13396 168.7
[M+Na-2H]- 305.11591 168.7
[M]+ 284.14069 168.5
[M]- 284.14179 168.5
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.