CID 484444

Dtxsid901112693

Structural Information

Molecular Formula
C20H28O2
SMILES
CC(C)C1=C(C=CC2=C1C(=O)C[C@@H]3[C@@]2(CCCC3(C)C)C)O
InChI
InChI=1S/C20H28O2/c1-12(2)17-14(21)8-7-13-18(17)15(22)11-16-19(3,4)9-6-10-20(13,16)5/h7-8,12,16,21H,6,9-11H2,1-5H3/t16-,20+/m0/s1
InChIKey
AYKJSPZJUSBRBO-OXJNMPFZSA-N
Compound name
(4aS,10aS)-7-hydroxy-1,1,4a-trimethyl-8-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

300.20892 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.21620 173.2
[M+Na]+ 323.19814 185.4
[M+NH4]+ 318.24274 185.1
[M+K]+ 339.17208 174.2
[M-H]- 299.20164 176.2
[M+Na-2H]- 321.18359 178.6
[M]+ 300.20837 176.2
[M]- 300.20947 176.2
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.