CID 6475709

(2s,4s)-2,4-bis((2e)-3-phenylprop-2-enyl)-2,4-bisbenzyl-7-oxabicyclo[3.3.0]octan-3-ol

Structural Information

Molecular Formula
C39H40O2
SMILES
C1OC[C@@H]2[C@@H]1[C@@](C([C@]2(CC3=CC=CC=C3)C/C=C/C4=CC=CC=C4)O)(CC5=CC=CC=C5)C/C=C/C6=CC=CC=C6
InChI
InChI=1S/C39H40O2/c40-37-38(27-33-19-9-3-10-20-33,25-13-23-31-15-5-1-6-16-31)35-29-41-30-36(35)39(37,28-34-21-11-4-12-22-34)26-14-24-32-17-7-2-8-18-32/h1-24,35-37,40H,25-30H2/b23-13+,24-14+/t35-,36-,38+,39+/m1/s1
InChIKey
QEQSVLITVIZDIK-JBLITATRSA-N
Compound name
(3aR,4S,6S,6aR)-4,6-dibenzyl-4,6-bis[(E)-3-phenylprop-2-enyl]-3,3a,5,6a-tetrahydro-1H-cyclopenta[c]furan-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

540.30286 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 541.31014 240.9
[M+Na]+ 563.29208 243.6
[M-H]- 539.29558 254.6
[M+NH4]+ 558.33668 250.6
[M+K]+ 579.26602 234.2
[M+H-H2O]+ 523.30012 228.7
[M+HCOO]- 585.30106 255.5
[M+CH3COO]- 599.31671 246.2
[M+Na-2H]- 561.27753 235.2
[M]+ 540.30231 237.6
[M]- 540.30341 237.6
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.