CID 42608242

(-)-euphomine a

Structural Information

Molecular Formula
C30H42O7
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)O)\C)O
InChI
InChI=1S/C30H42O7/c1-18-13-14-29(6,7)26(35-21(4)31)16-25(33)19(2)15-24-27(37-23-11-9-8-10-12-23)20(3)17-30(24,34)28(18)36-22(5)32/h8-15,18,20,24-28,33-34H,16-17H2,1-7H3/b14-13+,19-15+/t18-,20-,24-,25?,26?,27-,28?,30+/m0/s1
InChIKey
CUWPNVIPGKLCJJ-CYMHBGLUSA-N
Compound name
[(1S,2S,3aR,5S,6E,12E,13aS)-4-acetyloxy-3a,11-dihydroxy-2,5,8,8,12-pentamethyl-1-phenoxy-2,3,4,5,9,10,11,13a-octahydro-1H-cyclopenta[12]annulen-9-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

514.293 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 515.30028 220.1
[M+Na]+ 537.28222 225.1
[M-H]- 513.28572 223.1
[M+NH4]+ 532.32682 229.8
[M+K]+ 553.25616 223.4
[M+H-H2O]+ 497.29026 218.5
[M+HCOO]- 559.29120 230.3
[M+CH3COO]- 573.30685 238.0
[M+Na-2H]- 535.26767 213.2
[M]+ 514.29245 220.9
[M]- 514.29355 220.9
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.