CID 23617448

Ns00044871

Structural Information

Molecular Formula
C23H30O4
SMILES
C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@@H]3CC[C@@]4(C5=CC(=O)OC5)O)C
InChI
InChI=1S/C23H30O4/c1-21-8-5-16(24)11-14(21)3-4-17-18(21)6-9-22(2)19(17)7-10-23(22,26)15-12-20(25)27-13-15/h11-12,17-19,26H,3-10,13H2,1-2H3/t17-,18+,19-,21+,22+,23+/m1/s1
InChIKey
MATMECYAPCZDQE-AMHUQJERSA-N
Compound name
3-[(8R,9S,10R,13S,14R,17R)-17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.21442 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.221696 189.5
[M+Na]+ 393.203638 195.9
[M-H]- 369.207144 196.8
[M+NH4]+ 388.248243 211.9
[M+K]+ 409.177578 190.6
[M+H-H2O]+ 353.211680 183.7
[M+HCOO]- 415.212621 198.2
[M+CH3COO]- 429.228271 198.5
[M+Na-2H]- 391.189086 188.4
[M]+ 370.21387142 184.3
[M]- 370.21496858 184.3
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.