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]+ 237.184906 156.4
[M+Na]+ 259.166848 164.2
[M-H]- 235.170354 162.0
[M+NH4]+ 254.211453 174.8
[M+K]+ 275.140788 164.0
[M+H-H2O]+ 219.174890 152.4
[M+HCOO]- 281.175831 167.6
[M+CH3COO]- 295.191481 194.6
[M+Na-2H]- 257.152296 162.0
[M]+ 236.17708142 156.7
[M]- 236.17817858 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.