CID 131752048

Yucalexin p15

Structural Information

Molecular Formula
C20H26O4
SMILES
C[C@@]12CC(=O)[C@H](C([C@H]1CC=C3C2=CC(=O)[C@]([C@H]3O)(C)C=C)(C)C)O
InChI
InChI=1S/C20H26O4/c1-6-19(4)15(22)9-12-11(16(19)23)7-8-14-18(2,3)17(24)13(21)10-20(12,14)5/h6-7,9,14,16-17,23-24H,1,8,10H2,2-5H3/t14-,16+,17-,19+,20+/m1/s1
InChIKey
WNHOOXVMGONUHL-XUMBOQAASA-N
Compound name
(1S,2R,4bR,7S,8aS)-2-ethenyl-1,7-dihydroxy-2,4b,8,8-tetramethyl-5,7,8a,9-tetrahydro-1H-phenanthrene-3,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.1831 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.19038 176.3
[M+Na]+ 353.17232 187.2
[M+NH4]+ 348.21692 187.5
[M+K]+ 369.14626 175.6
[M-H]- 329.17582 177.3
[M+Na-2H]- 351.15777 180.9
[M]+ 330.18255 178.5
[M]- 330.18365 178.5
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.