CID 15086059

61919-52-6

Structural Information

Molecular Formula
C20H26O3
SMILES
C[C@H]1C[C@H]2[C@@H]3CCC(=O)[C@]3(C[C@@H]([C@@H]2[C@@]4(C1=CC(=O)C=C4)C)O)C
InChI
InChI=1S/C20H26O3/c1-11-8-13-14-4-5-17(23)20(14,3)10-16(22)18(13)19(2)7-6-12(21)9-15(11)19/h6-7,9,11,13-14,16,18,22H,4-5,8,10H2,1-3H3/t11-,13-,14-,16-,18+,19-,20-/m0/s1
InChIKey
TVJLVPVXJZGLPJ-CCASCXMYSA-N
Compound name
(6S,8S,9S,10R,11S,13S,14S)-11-hydroxy-6,10,13-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

314.1882 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.19548 175.8
[M+Na]+ 337.17742 186.2
[M+NH4]+ 332.22202 187.8
[M+K]+ 353.15136 177.1
[M-H]- 313.18092 178.0
[M+Na-2H]- 335.16287 178.3
[M]+ 314.18765 178.1
[M]- 314.18875 178.1
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