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
3
Annotation Hits

2215
References

2632
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 247.2
[M+Na]+ 607.41222 248.9
[M-H]- 583.41572 251.8
[M+NH4]+ 602.45682 260.8
[M+K]+ 623.38616 241.2
[M+H-H2O]+ 567.42026 243.7
[M+HCOO]- 629.42120 249.3
[M+CH3COO]- 643.43685 258.0
[M+Na-2H]- 605.39767 236.2
[M]+ 584.42245 244.9
[M]- 584.42355 244.9
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.