CID 20467727

Bcp10928

Structural Information

Molecular Formula
C19H28O4
SMILES
CC12CCC(CC1=CC(C3C2CCC4(C3C(CC4=O)O)C)O)O
InChI
InChI=1S/C19H28O4/c1-18-5-3-11(20)7-10(18)8-13(21)16-12(18)4-6-19(2)15(23)9-14(22)17(16)19/h8,11-14,16-17,20-22H,3-7,9H2,1-2H3
InChIKey
FTEHGIIZAGEILF-UHFFFAOYSA-N
Compound name
3,7,15-trihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

320.19876 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.20604 176.3
[M+Na]+ 343.18798 184.3
[M+NH4]+ 338.23258 187.3
[M+K]+ 359.16192 176.8
[M-H]- 319.19148 177.0
[M+Na-2H]- 341.17343 176.7
[M]+ 320.19821 177.6
[M]- 320.19931 177.6
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.