CID 10955696

7-epi-ent-eudesmane-5,11-diol

Structural Information

Molecular Formula
C15H28O2
SMILES
C[C@H]1CCC[C@@]2([C@@]1(C[C@@H](CC2)C(C)(C)O)O)C
InChI
InChI=1S/C15H28O2/c1-11-6-5-8-14(4)9-7-12(13(2,3)16)10-15(11,14)17/h11-12,16-17H,5-10H2,1-4H3/t11-,12+,14-,15-/m0/s1
InChIKey
DUMZYTYPNQNWMU-NEBZKDRISA-N
Compound name
(3R,4aS,5S,8aS)-3-(2-hydroxypropan-2-yl)-5,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

240.20892 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.216196 160.0
[M+Na]+ 263.198138 164.6
[M-H]- 239.201644 160.7
[M+NH4]+ 258.242743 181.6
[M+K]+ 279.172078 161.8
[M+H-H2O]+ 223.206180 156.4
[M+HCOO]- 285.207121 170.9
[M+CH3COO]- 299.222771 189.6
[M+Na-2H]- 261.183586 164.3
[M]+ 240.20837142 154.0
[M]- 240.20946858 154.0
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.