CID 11379426

(+)-14,15-epoxy-thapsan-14-ol

Structural Information

Molecular Formula
C15H26O2
SMILES
C[C@]12CCCC([C@]1([C@H]3[C@@H](C2)CO[C@@H]3O)C)(C)C
InChI
InChI=1S/C15H26O2/c1-13(2)6-5-7-14(3)8-10-9-17-12(16)11(10)15(13,14)4/h10-12,16H,5-9H2,1-4H3/t10-,11-,12-,14+,15+/m0/s1
InChIKey
WYFUXAIEKPJVEH-JQPXUNLUSA-N
Compound name
(1S,3aR,4aR,8aR,8bR)-4a,8,8,8a-tetramethyl-1,3,3a,4,5,6,7,8b-octahydroindeno[1,2-c]furan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.19328 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.20056 156.1
[M+Na]+ 261.18250 164.1
[M-H]- 237.18600 160.5
[M+NH4]+ 256.22710 183.7
[M+K]+ 277.15644 161.1
[M+H-H2O]+ 221.19054 153.5
[M+HCOO]- 283.19148 170.3
[M+CH3COO]- 297.20713 168.4
[M+Na-2H]- 259.16795 159.2
[M]+ 238.19273 153.9
[M]- 238.19383 153.9
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.