CID 23617449

Anhydroperiplogenone

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

370.21442 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.22170 189.4
[M+Na]+ 393.20364 197.7
[M+NH4]+ 388.24824 202.2
[M+K]+ 409.17758 189.4
[M-H]- 369.20714 193.6
[M+Na-2H]- 391.18909 192.2
[M]+ 370.21387 192.0
[M]- 370.21497 192.0
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

patents stripe