CID 13505133

58652-19-0

Structural Information

Molecular Formula
C23H30O4
SMILES
CC(=O)C1(CCC2C1(CCC3C2CC(=C)C4=CC(=O)CCC34)C)OC(=O)C
InChI
InChI=1S/C23H30O4/c1-13-11-20-18(17-6-5-16(26)12-19(13)17)7-9-22(4)21(20)8-10-23(22,14(2)24)27-15(3)25/h12,17-18,20-21H,1,5-11H2,2-4H3
InChIKey
YBBDZPBFRFPTJE-UHFFFAOYSA-N
Compound name
(17-acetyl-13-methyl-6-methylidene-3-oxo-2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

370.21442 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.22170 190.9
[M+Na]+ 393.20364 198.6
[M+NH4]+ 388.24824 201.2
[M+K]+ 409.17758 190.6
[M-H]- 369.20714 191.7
[M+Na-2H]- 391.18909 191.3
[M]+ 370.21387 192.2
[M]- 370.21497 192.2
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.