CID 3079574

126054-47-5

Structural Information

Molecular Formula
C23H37NO5
SMILES
C[C@]12CC[C@@H](C[C@@H]1CCC3C2CC[C@]4(C3CC[C@H]4NC(=O)OC)C)OC(=O)OC
InChI
InChI=1S/C23H37NO5/c1-22-11-9-15(29-21(26)28-4)13-14(22)5-6-16-17-7-8-19(24-20(25)27-3)23(17,2)12-10-18(16)22/h14-19H,5-13H2,1-4H3,(H,24,25)/t14-,15-,16?,17?,18?,19+,22-,23-/m0/s1
InChIKey
SNEOTXIRBDTHNR-BHNAHYMUSA-N
Compound name
[(3S,5S,10S,13S,17R)-17-(methoxycarbonylamino)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] methyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.26718 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.27446 200.1
[M+Na]+ 430.25640 204.6
[M+NH4]+ 425.30100 209.7
[M+K]+ 446.23034 197.7
[M-H]- 406.25990 200.7
[M+Na-2H]- 428.24185 199.3
[M]+ 407.26663 200.6
[M]- 407.26773 200.6
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.