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 195.0
[M+Na]+ 411.25057 199.3
[M-H]- 387.25407 198.5
[M+NH4]+ 406.29517 216.9
[M+K]+ 427.22451 194.9
[M+H-H2O]+ 371.25861 189.5
[M+HCOO]- 433.25955 201.3
[M+CH3COO]- 447.27520 224.0
[M+Na-2H]- 409.23602 192.1
[M]+ 388.26080 190.6
[M]- 388.26190 190.6
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

No patent data available for this compound.