CID 85213911

3(4->5)-abeo-4,11:4,12-diepoxy-3-eudesmanol

Structural Information

Molecular Formula
C15H24O3
SMILES
CC12CCC3CC1(C(CC2)O)C4(OCC3(O4)C)C
InChI
InChI=1S/C15H24O3/c1-12-6-4-10-8-15(12,11(16)5-7-12)14(3)17-9-13(10,2)18-14/h10-11,16H,4-9H2,1-3H3
InChIKey
LKEZYVLTHMLNIH-UHFFFAOYSA-N
Compound name
5,9,12-trimethyl-11,14-dioxatetracyclo[6.4.1.19,12.01,5]tetradecan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.17255 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.17983 156.0
[M+Na]+ 275.16177 164.0
[M-H]- 251.16527 159.3
[M+NH4]+ 270.20637 184.7
[M+K]+ 291.13571 161.6
[M+H-H2O]+ 235.16981 152.4
[M+HCOO]- 297.17075 165.8
[M+CH3COO]- 311.18640 167.6
[M+Na-2H]- 273.14722 162.9
[M]+ 252.17200 155.6
[M]- 252.17310 155.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.