CID 131751701

4alpha,5alpha-epoxy-11-eudesmen-3a-ol

Structural Information

Molecular Formula
C15H24O2
SMILES
CC(=C)C1CCC2(CCC(C3(C2(C1)O3)C)O)C
InChI
InChI=1S/C15H24O2/c1-10(2)11-5-7-13(3)8-6-12(16)14(4)15(13,9-11)17-14/h11-12,16H,1,5-9H2,2-4H3
InChIKey
AXKKANUAFIGTQI-UHFFFAOYSA-N
Compound name
1a,4a-dimethyl-7-prop-1-en-2-yl-3,4,5,6,7,8-hexahydro-2H-naphtho[1,8a-b]oxiren-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.17763 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.18491 156.4
[M+Na]+ 259.16685 164.2
[M-H]- 235.17035 162.0
[M+NH4]+ 254.21145 174.8
[M+K]+ 275.14079 164.0
[M+H-H2O]+ 219.17489 152.4
[M+HCOO]- 281.17583 167.6
[M+CH3COO]- 295.19148 194.6
[M+Na-2H]- 257.15230 162.0
[M]+ 236.17708 156.7
[M]- 236.17818 156.7
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.