CID 89387

3-methoxy-10,13-dimethylspiro[1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17,5'-oxolane]-2'-one

Structural Information

Molecular Formula
C23H32O3
SMILES
CC12CCC(=CC1=CCC3C2CCC4(C3CCC45CCC(=O)O5)C)OC
InChI
InChI=1S/C23H32O3/c1-21-10-6-16(25-3)14-15(21)4-5-17-18(21)7-11-22(2)19(17)8-12-23(22)13-9-20(24)26-23/h4,14,17-19H,5-13H2,1-3H3
InChIKey
OKMHWOWJDRPCCT-UHFFFAOYSA-N
Compound name
3-methoxy-10,13-dimethylspiro[1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17,5'-oxolane]-2'-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

356.23514 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.24242 188.8
[M+Na]+ 379.22436 195.2
[M-H]- 355.22786 196.2
[M+NH4]+ 374.26896 212.8
[M+K]+ 395.19830 190.0
[M+H-H2O]+ 339.23240 182.0
[M+HCOO]- 401.23334 198.6
[M+CH3COO]- 415.24899 198.2
[M+Na-2H]- 377.20981 188.2
[M]+ 356.23459 184.5
[M]- 356.23569 184.5
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.