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
2
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]+ 261.184916 162.0
[M+Na]+ 283.166858 169.6
[M-H]- 259.170364 164.5
[M+NH4]+ 278.211463 184.1
[M+K]+ 299.140798 164.8
[M+H-H2O]+ 243.174900 156.5
[M+HCOO]- 305.175841 174.9
[M+CH3COO]- 319.191491 172.7
[M+Na-2H]- 281.152306 166.7
[M]+ 260.17709142 157.9
[M]- 260.17818858 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.