CID 53735894

5696-51-5

Structural Information

Molecular Formula
C18H26O2
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC[C@H]4[C@@H]3CCC(=O)C4
InChI
InChI=1S/C18H26O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h11,13-16H,2-10H2,1H3/t11-,13+,14-,15-,16+,18+/m1/s1
InChIKey
CRDKSBHJIGNEOH-ARAASWILSA-N
Compound name
(5R,8R,9R,10S,13S,14S)-13-methyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,17-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

126
Patents

274.19327 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.20055 168.3
[M+Na]+ 297.18249 177.5
[M+NH4]+ 292.22709 180.0
[M+K]+ 313.15643 169.6
[M-H]- 273.18599 171.2
[M+Na-2H]- 295.16794 169.3
[M]+ 274.19272 170.4
[M]- 274.19382 170.4
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