CID 85748

16-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-one

Structural Information

Molecular Formula
C21H28O2
SMILES
CC(=O)C1=CC2(CCC3C(C2C1)CCC4=CC(=O)CCC34C)C
InChI
InChI=1S/C21H28O2/c1-13(22)14-10-19-17-5-4-15-11-16(23)6-9-21(15,3)18(17)7-8-20(19,2)12-14/h11-12,17-19H,4-10H2,1-3H3
InChIKey
CCRSVRNLGHVPMG-UHFFFAOYSA-N
Compound name
16-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.20892 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.21620 177.5
[M+Na]+ 335.19814 183.5
[M-H]- 311.20164 182.2
[M+NH4]+ 330.24274 200.8
[M+K]+ 351.17208 177.8
[M+H-H2O]+ 295.20618 171.0
[M+HCOO]- 357.20712 188.7
[M+CH3COO]- 371.22277 187.2
[M+Na-2H]- 333.18359 177.5
[M]+ 312.20837 172.5
[M]- 312.20947 172.5
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.