CID 11744712

Oncostemonol d

Structural Information

Molecular Formula
C29H42O4
SMILES
COC1=CC(=CC(=C1)O)CCCCCCC/C=C\CCCCCCCC2=CC(=CC(=C2)O)O
InChI
InChI=1S/C29H42O4/c1-33-29-21-25(20-28(32)23-29)17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-24-18-26(30)22-27(31)19-24/h2-3,18-23,30-32H,4-17H2,1H3/b3-2-
InChIKey
NJAYBTLRHRIKOW-IHWYPQMZSA-N
Compound name
5-[(Z)-16-(3-hydroxy-5-methoxyphenyl)hexadec-8-enyl]benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

454.30832 Da
Monoisotopic Mass

9.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.31560 218.8
[M+Na]+ 477.29754 221.0
[M-H]- 453.30104 219.5
[M+NH4]+ 472.34214 225.8
[M+K]+ 493.27148 213.2
[M+H-H2O]+ 437.30558 209.2
[M+HCOO]- 499.30652 234.3
[M+CH3COO]- 513.32217 230.6
[M+Na-2H]- 475.28299 214.7
[M]+ 454.30777 224.0
[M]- 454.30887 224.0
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.