CID 42608243

(-)-euphomine

Structural Information

Molecular Formula
C32H44O8
SMILES
C[C@H]1C[C@]2([C@H]([C@H]1OC3=CC=CC=C3)/C=C(/C(CC(C(/C=C/[C@@H](C2OC(=O)C)C)(C)C)OC(=O)C)OC(=O)C)\C)O
InChI
InChI=1S/C32H44O8/c1-19-14-15-31(7,8)28(38-23(5)34)17-27(37-22(4)33)20(2)16-26-29(40-25-12-10-9-11-13-25)21(3)18-32(26,36)30(19)39-24(6)35/h9-16,19,21,26-30,36H,17-18H2,1-8H3/b15-14+,20-16+/t19-,21-,26-,27?,28?,29-,30?,32+/m0/s1
InChIKey
KJAZUSMSKFLAQW-LMRGBCEQSA-N
Compound name
[(1S,2S,3aR,5S,6E,12E,13aS)-4,9-diacetyloxy-3a-hydroxy-2,5,8,8,12-pentamethyl-1-phenoxy-2,3,4,5,9,10,11,13a-octahydro-1H-cyclopenta[12]annulen-11-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

556.3036 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 557.31088 227.4
[M+Na]+ 579.29282 231.7
[M-H]- 555.29632 231.3
[M+NH4]+ 574.33742 235.8
[M+K]+ 595.26676 231.4
[M+H-H2O]+ 539.30086 225.6
[M+HCOO]- 601.30180 237.8
[M+CH3COO]- 615.31745 247.6
[M+Na-2H]- 577.27827 219.5
[M]+ 556.30305 230.8
[M]- 556.30415 230.8
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.