CID 10902298

6615-00-5

Structural Information

Molecular Formula
C18H24O3
SMILES
C[C@]12C[C@H]([C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=O)CC[C@H]34)O
InChI
InChI=1S/C18H24O3/c1-18-9-15(20)17-12-5-3-11(19)8-10(12)2-4-13(17)14(18)6-7-16(18)21/h8,12-15,17,20H,2-7,9H2,1H3/t12-,13-,14-,15+,17+,18-/m0/s1
InChIKey
VDCOSJPGDDQNJH-JVSYPLCOSA-N
Compound name
(8S,9S,10R,11R,13S,14S)-11-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

812
Patents

288.17255 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.17983 169.0
[M+Na]+ 311.16177 178.4
[M+NH4]+ 306.20637 179.8
[M+K]+ 327.13571 171.4
[M-H]- 287.16527 171.0
[M+Na-2H]- 309.14722 169.7
[M]+ 288.17200 170.8
[M]- 288.17310 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