CID 217190

38234-12-7

Structural Information

Molecular Formula
C20H30O3
SMILES
CC(C)C1=CC2=CCC3C(CCCC3(C2CC1O)C)C(=O)OC
InChI
InChI=1S/C20H30O3/c1-12(2)15-10-13-7-8-16-14(19(22)23-4)6-5-9-20(16,3)17(13)11-18(15)21/h7,10,12,14,16-18,21H,5-6,8-9,11H2,1-4H3
InChIKey
PWUFHICKPNWPEC-UHFFFAOYSA-N
Compound name
methyl 6-hydroxy-4a-methyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydro-1H-phenanthrene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.21948 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.226756 178.0
[M+Na]+ 341.208698 182.0
[M-H]- 317.212204 180.4
[M+NH4]+ 336.253303 195.8
[M+K]+ 357.182638 178.6
[M+H-H2O]+ 301.216740 171.7
[M+HCOO]- 363.217681 188.1
[M+CH3COO]- 377.233331 209.6
[M+Na-2H]- 339.194146 177.2
[M]+ 318.21893142 174.2
[M]- 318.22002858 174.2
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.