CID 14109411

Lucidone b

Structural Information

Molecular Formula
C24H32O5
SMILES
CC(=O)C1CC(=O)C2(C1(CC(=O)C3=C2C(CC4C3(CCC(=O)C4(C)C)C)O)C)C
InChI
InChI=1S/C24H32O5/c1-12(25)13-9-18(29)24(6)20-14(26)10-16-21(2,3)17(28)7-8-22(16,4)19(20)15(27)11-23(13,24)5/h13-14,16,26H,7-11H2,1-6H3
InChIKey
AJULRUMEMZKBQI-UHFFFAOYSA-N
Compound name
17-acetyl-7-hydroxy-4,4,10,13,14-pentamethyl-1,2,5,6,7,12,16,17-octahydrocyclopenta[a]phenanthrene-3,11,15-trione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

400.22498 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.23226 188.0
[M+Na]+ 423.21420 197.1
[M-H]- 399.21770 192.0
[M+NH4]+ 418.25880 211.6
[M+K]+ 439.18814 192.0
[M+H-H2O]+ 383.22224 184.4
[M+HCOO]- 445.22318 195.6
[M+CH3COO]- 459.23883 226.4
[M+Na-2H]- 421.19965 187.9
[M]+ 400.22443 187.1
[M]- 400.22553 187.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe