CID 480088

(3ar,6ar)-4,4,6,6-tetrabenzyl-3,3a,5,6a-tetrahydro-1h-cyclopenta[c]furan-5-ol

Structural Information

Molecular Formula
C35H36O2
SMILES
C1[C@@H]2[C@@H](CO1)C(C(C2(CC3=CC=CC=C3)CC4=CC=CC=C4)O)(CC5=CC=CC=C5)CC6=CC=CC=C6
InChI
InChI=1S/C35H36O2/c36-33-34(21-27-13-5-1-6-14-27,22-28-15-7-2-8-16-28)31-25-37-26-32(31)35(33,23-29-17-9-3-10-18-29)24-30-19-11-4-12-20-30/h1-20,31-33,36H,21-26H2/t31-,32-/m1/s1
InChIKey
AKPMWOGSNDPKJB-ROJLCIKYSA-N
Compound name
(3aR,6aR)-4,4,6,6-tetrabenzyl-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

488.27155 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.27883 224.6
[M+Na]+ 511.26077 228.5
[M-H]- 487.26427 239.1
[M+NH4]+ 506.30537 236.6
[M+K]+ 527.23471 220.9
[M+H-H2O]+ 471.26881 213.1
[M+HCOO]- 533.26975 240.3
[M+CH3COO]- 547.28540 231.6
[M+Na-2H]- 509.24622 221.1
[M]+ 488.27100 221.8
[M]- 488.27210 221.8
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.