CID 53481467

13'-hydroxy-gamma-tocopherol

Structural Information

Molecular Formula
C28H48O3
SMILES
CC1=C(C=C2CC[C@@](OC2=C1C)(C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)CO)O
InChI
InChI=1S/C28H48O3/c1-20(12-8-13-22(3)19-29)10-7-11-21(2)14-9-16-28(6)17-15-25-18-26(30)23(4)24(5)27(25)31-28/h18,20-22,29-30H,7-17,19H2,1-6H3/t20-,21+,22?,28-/m1/s1
InChIKey
QNBPVJMQPAQXML-SLGTZZLGSA-N
Compound name
(2R)-2-[(4S,8R)-13-hydroxy-4,8,12-trimethyltridecyl]-2,7,8-trimethyl-3,4-dihydrochromen-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

432.36035 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.36763 215.6
[M+Na]+ 455.34957 224.1
[M+NH4]+ 450.39417 222.3
[M+K]+ 471.32351 215.4
[M-H]- 431.35307 217.4
[M+Na-2H]- 453.33502 215.7
[M]+ 432.35980 217.3
[M]- 432.36090 217.3
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.