CID 101412415

Carthamoside a1

Structural Information

Molecular Formula
C19H26O6
SMILES
C/C=C\C#CC#CCCCO[C@H]1[C@@H]([C@H]([C@H]2[C@H](O1)COC(O2)(C)C)O)O
InChI
InChI=1S/C19H26O6/c1-4-5-6-7-8-9-10-11-12-22-18-16(21)15(20)17-14(24-18)13-23-19(2,3)25-17/h4-5,14-18,20-21H,10-13H2,1-3H3/b5-4-/t14-,15-,16-,17-,18-/m1/s1
InChIKey
DWCYZAGYVGTNEU-PYUPSREBSA-N
Compound name
(4aR,6R,7R,8R,8aS)-6-[(Z)-dec-8-en-4,6-diynoxy]-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

350.17294 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.18022 191.6
[M+Na]+ 373.16216 198.1
[M+NH4]+ 368.20676 190.9
[M+K]+ 389.13610 188.0
[M-H]- 349.16566 181.1
[M+Na-2H]- 371.14761 185.9
[M]+ 350.17239 188.3
[M]- 350.17349 188.3
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

patents stripe