CID 3085209

60883-73-0

Structural Information

Molecular Formula
C23H36O3
SMILES
CCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@]4(C)O)C)C
InChI
InChI=1S/C23H36O3/c1-5-20(24)26-16-8-11-21(2)15(14-16)6-7-17-18(21)9-12-22(3)19(17)10-13-23(22,4)25/h6,16-19,25H,5,7-14H2,1-4H3/t16-,17+,18-,19-,21-,22-,23-/m0/s1
InChIKey
YAZVIHSCBXWIRW-ZGIWMXSJSA-N
Compound name
[(3S,8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13,17-trimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.26645 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.27373 192.1
[M+Na]+ 383.25567 196.6
[M-H]- 359.25917 194.7
[M+NH4]+ 378.30027 214.7
[M+K]+ 399.22961 191.2
[M+H-H2O]+ 343.26371 185.9
[M+HCOO]- 405.26465 199.4
[M+CH3COO]- 419.28030 215.4
[M+Na-2H]- 381.24112 191.1
[M]+ 360.26590 187.2
[M]- 360.26700 187.2
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.