CID 258413

15571-07-0

Structural Information

Molecular Formula
C25H32O6
SMILES
CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@@]4([C@H](CC[C@@]4([C@@H]3CC=C2C1)O)C5=CC(=O)OC5)C)C=O
InChI
InChI=1S/C25H32O6/c1-15(27)31-18-5-9-24(14-26)17(12-18)3-4-21-20(24)6-8-23(2)19(7-10-25(21,23)29)16-11-22(28)30-13-16/h3,11,14,18-21,29H,4-10,12-13H2,1-2H3/t18-,19+,20-,21+,23+,24+,25-/m0/s1
InChIKey
YXVAJWQGXKVWEN-PNALVPCQSA-N
Compound name
[(3S,8R,9S,10S,13R,14S,17R)-10-formyl-14-hydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.21988 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.22716 201.8
[M+Na]+ 451.20910 208.2
[M+NH4]+ 446.25370 212.6
[M+K]+ 467.18304 201.3
[M-H]- 427.21260 204.4
[M+Na-2H]- 449.19455 203.1
[M]+ 428.21933 203.5
[M]- 428.22043 203.5
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.