CID 122361582

76234-43-0

Structural Information

Molecular Formula
C26H35NO7
SMILES
C[C@]12CCC(=O)C=C1CCC3C2C(C[C@]4(C3CC[C@@]4(C(=O)COC(=O)[C@@H]5CCC(=O)N5)O)C)O
InChI
InChI=1S/C26H35NO7/c1-24-9-7-15(28)11-14(24)3-4-16-17-8-10-26(33,25(17,2)12-19(29)22(16)24)20(30)13-34-23(32)18-5-6-21(31)27-18/h11,16-19,22,29,33H,3-10,12-13H2,1-2H3,(H,27,31)/t16?,17?,18-,19?,22?,24-,25-,26-/m0/s1
InChIKey
OJUIYOJRJPVMNW-YABWZDENSA-N
Compound name
[2-[(10R,13S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] (2S)-5-oxopyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

473.24136 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.24864 213.1
[M+Na]+ 496.23058 215.8
[M-H]- 472.23408 214.7
[M+NH4]+ 491.27518 229.2
[M+K]+ 512.20452 210.8
[M+H-H2O]+ 456.23862 208.3
[M+HCOO]- 518.23956 214.3
[M+CH3COO]- 532.25521 230.3
[M+Na-2H]- 494.21603 207.7
[M]+ 473.24081 206.5
[M]- 473.24191 206.5
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.