CID 275500

41906-06-3

Structural Information

Molecular Formula
C23H34O4
SMILES
CC(=O)C1(CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C)C)C)O
InChI
InChI=1S/C23H34O4/c1-14(24)23(26)12-9-20-18-6-5-16-13-17(27-15(2)25)7-10-21(16,3)19(18)8-11-22(20,23)4/h5,17-20,26H,6-13H2,1-4H3
InChIKey
IQCNQJXIOWBNAT-UHFFFAOYSA-N
Compound name
(17-acetyl-17-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

374.2457 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.25298 193.2
[M+Na]+ 397.23492 197.6
[M-H]- 373.23842 195.8
[M+NH4]+ 392.27952 215.0
[M+K]+ 413.20886 193.0
[M+H-H2O]+ 357.24296 187.7
[M+HCOO]- 419.24390 199.8
[M+CH3COO]- 433.25955 217.8
[M+Na-2H]- 395.22037 191.7
[M]+ 374.24515 188.6
[M]- 374.24625 188.6
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