CID 484439

1891-80-1

Structural Information

Molecular Formula
C20H30O2
SMILES
CC(C)C1=C(C=CC2=C1C[C@@H]([C@@H]3[C@@]2(CCCC3(C)C)C)O)O
InChI
InChI=1S/C20H30O2/c1-12(2)17-13-11-16(22)18-19(3,4)9-6-10-20(18,5)14(13)7-8-15(17)21/h7-8,12,16,18,21-22H,6,9-11H2,1-5H3/t16-,18-,20+/m0/s1
InChIKey
XTNGDJJRXKQQNO-XKGZKEIXSA-N
Compound name
(4bS,8aS,9S)-4b,8,8-trimethyl-1-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthrene-2,9-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

302.22458 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.23186 174.2
[M+Na]+ 325.21380 185.9
[M+NH4]+ 320.25840 186.1
[M+K]+ 341.18774 175.1
[M-H]- 301.21730 177.0
[M+Na-2H]- 323.19925 179.2
[M]+ 302.22403 177.1
[M]- 302.22513 177.1
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.