CID 131752074

5,8:5',8'-diepoxy-5,5',8,8'-tetrahydro-b,b-carotene-3,3'-diol

Structural Information

Molecular Formula
C40H56O4
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(CC(CC4(O3)C)O)(C)C
InChI
InChI=1S/C40H56O4/c1-27(17-13-19-29(3)33-21-35-37(5,6)23-31(41)25-39(35,9)43-33)15-11-12-16-28(2)18-14-20-30(4)34-22-36-38(7,8)24-32(42)26-40(36,10)44-34/h11-22,31-34,41-42H,23-26H2,1-10H3/b12-11-,17-13-,18-14+,27-15+,28-16+,29-19-,30-20-
InChIKey
YLUSVJDFTAATNS-CDQXKQFZSA-N
Compound name
2-[(2Z,4Z,6E,8Z,10E,12E,14Z)-15-(6-hydroxy-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

600.41785 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 601.425126 249.0
[M+Na]+ 623.407068 250.9
[M-H]- 599.410574 252.6
[M+NH4]+ 618.451673 261.5
[M+K]+ 639.381008 243.5
[M+H-H2O]+ 583.415110 246.6
[M+HCOO]- 645.416051 249.7
[M+CH3COO]- 659.431701 259.6
[M+Na-2H]- 621.392516 238.0
[M]+ 600.41730142 247.0
[M]- 600.41839858 247.0
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

No patent data available for this compound.