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]+ 241.21620 160.0
[M+Na]+ 263.19814 164.6
[M-H]- 239.20164 160.7
[M+NH4]+ 258.24274 181.6
[M+K]+ 279.17208 161.8
[M+H-H2O]+ 223.20618 156.4
[M+HCOO]- 285.20712 170.9
[M+CH3COO]- 299.22277 189.6
[M+Na-2H]- 261.18359 164.3
[M]+ 240.20837 154.0
[M]- 240.20947 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.