CID 20839067

28449-43-6

Structural Information

Molecular Formula
C23H30O4
SMILES
CC(=O)OC/C=C\1/CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)O)C
InChI
InChI=1S/C23H30O4/c1-14(24)27-11-9-15-5-7-19-18-6-4-16-12-17(25)8-10-22(16,2)21(18)20(26)13-23(15,19)3/h8-10,12,18-21,26H,4-7,11,13H2,1-3H3/b15-9-/t18-,19-,20-,21+,22-,23+/m0/s1
InChIKey
SXDJNTFEKRMWCP-XEXLYTDQSA-N
Compound name
[(2Z)-2-[(8S,9S,10R,11S,13S,14S)-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ylidene]ethyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.21442 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.22170 190.8
[M+Na]+ 393.20364 196.5
[M-H]- 369.20714 194.0
[M+NH4]+ 388.24824 211.2
[M+K]+ 409.17758 190.5
[M+H-H2O]+ 353.21168 184.9
[M+HCOO]- 415.21262 200.2
[M+CH3COO]- 429.22827 216.7
[M+Na-2H]- 391.18909 189.7
[M]+ 370.21387 187.4
[M]- 370.21497 187.4
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

No patent data available for this compound.