CID 484396

69748-51-2

Structural Information

Molecular Formula
C17H24O2
SMILES
C[C@]12CCCC([C@@H]1CCC3=C2C=CC(=C3O)O)(C)C
InChI
InChI=1S/C17H24O2/c1-16(2)9-4-10-17(3)12-6-7-13(18)15(19)11(12)5-8-14(16)17/h6-7,14,18-19H,4-5,8-10H2,1-3H3/t14-,17+/m0/s1
InChIKey
UCOVNMMLWVAZJH-WMLDXEAASA-N
Compound name
(4bS,8aS)-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthrene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

260.17764 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.18492 162.0
[M+Na]+ 283.16686 169.6
[M-H]- 259.17036 164.5
[M+NH4]+ 278.21146 184.1
[M+K]+ 299.14080 164.8
[M+H-H2O]+ 243.17490 156.5
[M+HCOO]- 305.17584 174.9
[M+CH3COO]- 319.19149 172.7
[M+Na-2H]- 281.15231 166.7
[M]+ 260.17709 157.9
[M]- 260.17819 157.9
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.