CID 101126612

(5r)-5-[(2r,3ar,4r,5r,6as)-5-hydroxy-4-[(e,3s)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydro-2h-cyclopenta[b]furan-2-yl]-5-hydroxypentanoic acid

Structural Information

Molecular Formula
C20H34O6
SMILES
CCCCC[C@@H](/C=C/[C@@H]1[C@H]2C[C@@H](O[C@H]2C[C@H]1O)[C@@H](CCCC(=O)O)O)O
InChI
InChI=1S/C20H34O6/c1-2-3-4-6-13(21)9-10-14-15-11-19(26-18(15)12-17(14)23)16(22)7-5-8-20(24)25/h9-10,13-19,21-23H,2-8,11-12H2,1H3,(H,24,25)/b10-9+/t13-,14+,15+,16+,17+,18-,19+/m0/s1
InChIKey
QDAJZCYWALSQIG-IXPRNCCBSA-N
Compound name
(5R)-5-[(2R,3aR,4R,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl]-5-hydroxypentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.23553 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.24281 195.8
[M+Na]+ 393.22475 196.5
[M-H]- 369.22825 193.6
[M+NH4]+ 388.26935 208.3
[M+K]+ 409.19869 193.6
[M+H-H2O]+ 353.23279 191.4
[M+HCOO]- 415.23373 204.9
[M+CH3COO]- 429.24938 210.1
[M+Na-2H]- 391.21020 188.1
[M]+ 370.23498 195.1
[M]- 370.23608 195.1
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.