CID 3505043

Mucocin

Structural Information

Molecular Formula
C37H66O8
SMILES
CCCCCCCCCCC1C(CCC(O1)C(CCC(C2CCC(O2)CCCCCCCC(CC3=CC(OC3=O)C)O)O)O)O
InChI
InChI=1S/C37H66O8/c1-3-4-5-6-7-8-12-15-18-34-33(41)22-24-36(45-34)32(40)21-20-31(39)35-23-19-30(44-35)17-14-11-9-10-13-16-29(38)26-28-25-27(2)43-37(28)42/h25,27,29-36,38-41H,3-24,26H2,1-2H3
InChIKey
PIKSSLVYUFERQJ-UHFFFAOYSA-N
Compound name
4-[9-[5-[4-(6-decyl-5-hydroxyoxan-2-yl)-1,4-dihydroxybutyl]oxolan-2-yl]-2-hydroxynonyl]-2-methyl-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

638.47577 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 639.48305 265.7
[M+Na]+ 661.46499 265.7
[M+NH4]+ 656.50959 265.3
[M+K]+ 677.43893 266.3
[M-H]- 637.46849 267.7
[M+Na-2H]- 659.45044 257.3
[M]+ 638.47522 265.4
[M]- 638.47632 265.4
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.