CID 131750919

5,8:5',8'-diepoxy-5,5',8,8'-tetrahydro-b,b-caroten-3-ol

Structural Information

Molecular Formula
C40H56O3
SMILES
C/C(=C\C=C/C=C(\C)/C=C\C=C(\C)/C1C=C2C(CC(CC2(O1)C)O)(C)C)/C=C/C=C(/C)\C3C=C4C(CCCC4(O3)C)(C)C
InChI
InChI=1S/C40H56O3/c1-28(18-13-20-30(3)33-24-35-37(5,6)22-15-23-39(35,9)42-33)16-11-12-17-29(2)19-14-21-31(4)34-25-36-38(7,8)26-32(41)27-40(36,10)43-34/h11-14,16-21,24-25,32-34,41H,15,22-23,26-27H2,1-10H3/b12-11-,18-13+,19-14-,28-16+,29-17+,30-20-,31-21-
InChIKey
KCYOZNARADAZIZ-IKRNEZJGSA-N
Compound name
2-[(2Z,4Z,6E,8Z,10E,12E,14Z)-15-(4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-2-yl)-6,11-dimethylhexadeca-2,4,6,8,10,12,14-heptaen-2-yl]-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-6-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

584.423 Da
Monoisotopic Mass

10.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 585.43028 246.0
[M+Na]+ 607.41222 250.1
[M+NH4]+ 602.45682 254.5
[M+K]+ 623.38616 239.7
[M-H]- 583.41572 248.1
[M+Na-2H]- 605.39767 245.6
[M]+ 584.42245 247.3
[M]- 584.42355 247.3
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.