CID 22295786

69688-15-9

Structural Information

Molecular Formula
C24H36O4
SMILES
C[C@H]1C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@]3(C(=O)C)OC(=O)C)C)[C@@]4([C@H]1CC(=O)CC4)C
InChI
InChI=1S/C24H36O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h14,18-21H,6-13H2,1-5H3/t14-,18+,19-,20-,21-,22+,23-,24-/m0/s1
InChIKey
WUGYQVQMQZFLHU-ACWFTSFSSA-N
Compound name
[(5S,6S,8R,9S,10S,13S,14S,17R)-17-acetyl-6,10,13-trimethyl-3-oxo-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.26135 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.26863 196.7
[M+Na]+ 411.25057 203.1
[M+NH4]+ 406.29517 208.3
[M+K]+ 427.22451 193.6
[M-H]- 387.25407 197.3
[M+Na-2H]- 409.23602 197.5
[M]+ 388.26080 197.9
[M]- 388.26190 197.9
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.