CID 484443

3625-02-3

Structural Information

Molecular Formula
C20H28O
SMILES
CC(C)C1=C(C=CC2=C1C=C[C@@H]3[C@@]2(CCCC3(C)C)C)O
InChI
InChI=1S/C20H28O/c1-13(2)18-14-7-10-17-19(3,4)11-6-12-20(17,5)15(14)8-9-16(18)21/h7-10,13,17,21H,6,11-12H2,1-5H3/t17-,20+/m0/s1
InChIKey
PGAVPWXNOKXKIU-FXAWDEMLSA-N
Compound name
(4bS,8aS)-4b,8,8-trimethyl-1-propan-2-yl-5,6,7,8a-tetrahydrophenanthren-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

284.21402 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.22130 170.2
[M+Na]+ 307.20324 183.5
[M+NH4]+ 302.24784 183.1
[M+K]+ 323.17718 171.4
[M-H]- 283.20674 174.2
[M+Na-2H]- 305.18869 177.2
[M]+ 284.21347 173.8
[M]- 284.21457 173.8
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.