CID 227830

Tenulin

Structural Information

Molecular Formula
C17H22O5
SMILES
C[C@@H]1C[C@H]2[C@@H]3[C@H]([C@]4([C@H]1C=CC4=O)C)OC([C@@]3(C(=O)O2)C)(C)O
InChI
InChI=1S/C17H22O5/c1-8-7-10-12-13(15(2)9(8)5-6-11(15)18)22-17(4,20)16(12,3)14(19)21-10/h5-6,8-10,12-13,20H,7H2,1-4H3/t8-,9+,10+,12-,13-,15+,16+,17?/m1/s1
InChIKey
CNIULSUYTFOEHN-MEBIVNBJSA-N
Compound name
(1R,2R,6R,7R,9S,12R,15R)-13-hydroxy-2,7,12,13-tetramethyl-10,14-dioxatetracyclo[7.5.1.02,6.012,15]pentadec-4-ene-3,11-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

17
References

0
Patents

306.14673 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.15401 161.5
[M+Na]+ 329.13595 167.2
[M+NH4]+ 324.18055 171.9
[M+K]+ 345.10989 165.5
[M-H]- 305.13945 162.7
[M+Na-2H]- 327.12140 161.9
[M]+ 306.14618 162.9
[M]- 306.14728 162.9
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.