CID 192725

15,16-epoxyandrostan-17-one

Structural Information

Molecular Formula
C19H28O2
SMILES
C[C@]12CCCC[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3[C@@H]5[C@H](C4=O)O5)C
InChI
InChI=1S/C19H28O2/c1-18-9-4-3-5-11(18)6-7-12-13(18)8-10-19(2)14(12)15-16(21-15)17(19)20/h11-16H,3-10H2,1-2H3/t11-,12-,13+,14-,15-,16-,18+,19+/m1/s1
InChIKey
JORKPPZTZOSXIM-HKGPFAJASA-N
Compound name
(1R,2S,3R,5R,7S,10S,11S,16R)-7,11-dimethyl-4-oxapentacyclo[8.8.0.02,7.03,5.011,16]octadecan-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.20892 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.21620 171.5
[M+Na]+ 311.19814 183.3
[M+NH4]+ 306.24274 185.7
[M+K]+ 327.17208 175.2
[M-H]- 287.20164 183.3
[M+Na-2H]- 309.18359 175.7
[M]+ 288.20837 178.1
[M]- 288.20947 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

No patent data available for this compound.