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
2
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]+ 303.231856 174.2
[M+Na]+ 325.213798 181.0
[M-H]- 301.217304 176.4
[M+NH4]+ 320.258403 194.7
[M+K]+ 341.187738 176.3
[M+H-H2O]+ 285.221840 168.8
[M+HCOO]- 347.222781 184.9
[M+CH3COO]- 361.238431 206.1
[M+Na-2H]- 323.199246 175.6
[M]+ 302.22403142 170.9
[M]- 302.22512858 170.9
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.