CID 497949

10,7-(epoxymethano)-10h-phenanthro[1,10a-c]furan-14-one, tetradecahydro-1,1,4a-trimethyl-, (4as,7r,7ar,10s,10as,12as)-

Structural Information

Molecular Formula
C20H30O3
SMILES
C[C@]12CCCC([C@@H]1CC[C@]34C2CC[C@@H]5[C@H]3COC4OC5=O)(C)C
InChI
InChI=1S/C20H30O3/c1-18(2)8-4-9-19(3)14(18)7-10-20-13-11-22-17(20)23-16(21)12(13)5-6-15(19)20/h12-15,17H,4-11H2,1-3H3/t12-,13-,14+,15?,17?,19+,20-/m1/s1
InChIKey
FCMJSLVUJBFMPI-GTXMUXLOSA-N
Compound name
(1S,2R,8R,12S,17S)-12,16,16-trimethyl-4,6-dioxapentacyclo[9.8.0.01,5.02,8.012,17]nonadecan-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

318.21948 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.22676 173.6
[M+Na]+ 341.20870 178.5
[M-H]- 317.21220 179.1
[M+NH4]+ 336.25330 196.4
[M+K]+ 357.18264 175.8
[M+H-H2O]+ 301.21674 165.8
[M+HCOO]- 363.21768 178.7
[M+CH3COO]- 377.23333 182.7
[M+Na-2H]- 339.19415 176.3
[M]+ 318.21893 168.6
[M]- 318.22003 168.6
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

No patent data available for this compound.