CID 129011027

Artemoin b

Structural Information

Molecular Formula
C35H66O4
SMILES
CCCCCCCCCCCCC(C(CCCCCCCCCCCCCCCCC1=CC(OC1=O)C)O)O
InChI
InChI=1S/C35H66O4/c1-3-4-5-6-7-8-16-19-22-25-28-33(36)34(37)29-26-23-20-17-14-12-10-9-11-13-15-18-21-24-27-32-30-31(2)39-35(32)38/h30-31,33-34,36-37H,3-29H2,1-2H3
InChIKey
NXSNZSWFXOMAOD-UHFFFAOYSA-N
Compound name
4-(17,18-dihydroxytriacontyl)-2-methyl-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

550.4961 Da
Monoisotopic Mass

13.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 551.50338 253.7
[M+Na]+ 573.48532 256.6
[M+NH4]+ 568.52992 243.7
[M+K]+ 589.45926 245.5
[M-H]- 549.48882 231.0
[M+Na-2H]- 571.47077 248.0
[M]+ 550.49555 241.8
[M]- 550.49665 241.8
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

patents stripe