CID 14165048

Delta6-dehydroferruginol

Structural Information

Molecular Formula

C₂₀H₂₈O

SMILES

CC(C)C1=C(C=C2C(=C1)C=CC3C2(CCCC3(C)C)C)O

InChI

InChI=1S/C20H28O/c1-13(2)15-11-14-7-8-18-19(3,4)9-6-10-20(18,5)16(14)12-17(15)21/h7-8,11-13,18,21H,6,9-10H2,1-5H3

InChIKey

NCHINJPZLGMLCY-UHFFFAOYSA-N

Compound name

4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a-tetrahydrophenanthren-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 284.21402 Da
Monoisotopic Mass: 6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	285.221296	169.7
[M+Na]+	307.203238	177.1
[M-H]-	283.206744	173.4
[M+NH4]+	302.247843	191.5
[M+K]+	323.177178	172.3
[M+H-H2O]+	267.211280	163.6
[M+HCOO]-	329.212221	183.3
[M+CH3COO]-	343.227871	204.7
[M+Na-2H]-	305.188686	172.8
[M]+	284.21347142	167.7
[M]-	284.21456858	167.7

Literature stripe

literature stripe

Patent stripe

patents stripe